Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope | Paper Citation Record

Observation e2d869a3-c4c8-420a-bf97-c76b08966b52 · outbound

This paper cites The era of carbon allotropes.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope The era of carbon allotropes

Reference 1

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Observation 61896bd9-1c26-4662-8500-d0e17de183ea · outbound

This paper cites Carbon-based nanomaterials/allotropes: A glimpse of their synthesis, properties and some applications.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Carbon-based nanomaterials/allotropes: A glimpse of their synthesis, properties and some applications

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Observation 1b823da5-e03f-44e8-9330-057c4f14d433 · outbound

This paper cites Two-dimensional carbon allotropes from graphene to graphyne.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Two-dimensional carbon allotropes from graphene to graphyne

Reference 3

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Observation d8411428-3efb-4c59-a4ce-a3228e323b59 · outbound

This paper cites Magical allotropes of carbon: prospects and applications.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Magical allotropes of carbon: prospects and applications

Reference 4

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Observation 37ddf871-a287-4147-9b0b-8fd1883679cd · outbound

This paper cites Microporosity as a new property control factor in graphene-like 2d allotropes.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Microporosity as a new property control factor in graphene-like 2d allotropes

Reference 5

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Observation fd8deff6-79f4-40b4-88f8-a2caf48795e5 · outbound

This paper cites New carbon allotropes with metallic conducting proper- ties: a first-principles prediction.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope New carbon allotropes with metallic conducting proper- ties: a first-principles prediction

Reference 6

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Observation fbf44666-7de7-42bf-b6d0-68ebba1b35c1 · outbound

This paper cites Investigating mechanical properties and thermal conductivity of 2d carbon-based materials by computational experiments.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Investigating mechanical properties and thermal conductivity of 2d carbon-based materials by computational experiments

Reference 7

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Observation 1c02c729-54c3-4e3e-89d2-3cb9dcdef312 · outbound

This paper cites Thermal transport in novel carbon allotropes with sp 2 or sp 3 hybridization: An ab initio study.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Thermal transport in novel carbon allotropes with sp 2 or sp 3 hybridization: An ab initio study

Reference 8

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Observation 490cc5c0-fdc5-430d-8d2c-9c0a48e9382e · outbound

This paper cites The mechanical properties of three types of carbon allotropes.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope The mechanical properties of three types of carbon allotropes

Reference 9

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Observation 2d959c3f-8bd2-49e7-a583-5927c7ecc925 · outbound

This paper cites Carbon allotropes-based nanodevices: graphene in biomedical applications.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Carbon allotropes-based nanodevices: graphene in biomedical applications

Reference 10

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Observation 74755d96-0faa-4e60-baa7-71369dc01bcc · outbound

This paper cites Carbon allotropes as anode material for lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Carbon allotropes as anode material for lithium-ion batteries

Reference 11

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Observation eb79e90f-bd41-48fe-8a1b-0f1e4f3d7562 · outbound

This paper cites Lithiation properties of sp 2 carbon allotropes.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Lithiation properties of sp 2 carbon allotropes

Reference 12

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Observation 450e9435-0f1f-4ad4-9cbf-e1f50788b9ca · outbound

This paper cites Carbon materials for ion-intercalation involved rechargeable battery technologies.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Carbon materials for ion-intercalation involved rechargeable battery technologies

Reference 13

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Observation 078af29e-6643-4ba9-88e7-22a3349e15e0 · outbound

This paper cites Advancements in two-dimensional materials as anodes for lithium-ion batteries: Exploring composition-structure-property relationships emerging trends, and future perspective.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Advancements in two-dimensional materials as anodes for lithium-ion batteries: Exploring composition-structure-property relationships emerging trends, and future perspective

Reference 14

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Observation 1adaf2e5-913e-44d4-829c-a40aa3c26157 · outbound

This paper cites Three-dimensional microstructural imaging methods for energy materials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Three-dimensional microstructural imaging methods for energy materials

Reference 15

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Observation 53acb067-7404-47e6-ad3f-942b62280ce1 · outbound

This paper cites Scalable synthesis and characterization of multilayer γ-graphyne, new carbon crystals with a small direct band gap.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Scalable synthesis and characterization of multilayer γ-graphyne, new carbon crystals with a small direct band gap

Reference 16

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Observation 06425806-af44-4bf1-a9f1-f6ce39b5dc1d · outbound

This paper cites Graphdiyne: synthesis, properties, and applications.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Graphdiyne: synthesis, properties, and applications

Reference 17

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Observation eba1e1bc-19a7-4429-b691-3ec1c7b066c1 · outbound

This paper cites Graphenylene, a unique two-dimensional carbon network with nondelocalized cyclohexatriene units.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Graphenylene, a unique two-dimensional carbon network with nondelocalized cyclohexatriene units

Reference 18

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Observation 21af09ba-e455-4cc1-a71f-409e9462ffeb · outbound

This paper cites Graphenylene: a promising anode material for lithium-ion batteries with high mobility and storage.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Graphenylene: a promising anode material for lithium-ion batteries with high mobility and storage

Reference 19

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Observation 5a0e6a1d-3939-486c-a71e-0e427d961942 · outbound

This paper cites Recent advances in development of organic battery materials for monovalent and multivalent metal- ion rechargeable batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Recent advances in development of organic battery materials for monovalent and multivalent metal- ion rechargeable batteries

Reference 20

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Observation 7db3188e-5c70-415d-b574-be11471e259d · outbound

This paper cites 30 years of lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope 30 years of lithium-ion batteries

Reference 21

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Observation e8b00e4f-5d14-44b3-8f1f-fb9fff27bdaa · outbound

This paper cites Recent developments in lithium ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Recent developments in lithium ion batteries

Reference 22

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Observation ca8680fe-0068-40df-8797-67524f6de2f1 · outbound

This paper cites Lithium-ion batter- ies: outlook on present, future, and hybridized technologies.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Lithium-ion batter- ies: outlook on present, future, and hybridized technologies

Reference 23

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.611482Z

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Observation 4a864b9f-97cf-49b6-bdf3-9208c9c4bb9b · outbound

This paper cites Lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Lithium-ion batteries

Reference 24

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.594857Z

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Observation e059eae1-df6e-4213-9dcc-3c4c57da0b2b · outbound

This paper cites The development and future of lithium ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope The development and future of lithium ion batteries

Reference 25

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Observation 134889a3-2e1b-4905-b76d-cc629adaaf9a · outbound

This paper cites An outlook on lithium ion battery technology.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope An outlook on lithium ion battery technology

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Observation d96c47f1-28b8-488a-9763-a0d17139de6f · outbound

This paper cites Tpdh-graphene as a new anodic material for lithium ion battery: Dft-based investigations.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Tpdh-graphene as a new anodic material for lithium ion battery: Dft-based investigations

Reference 27

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Observation fcd226b3-fce1-4eee-bb47-6a0bd17d8417 · outbound

This paper cites Popgraphene: a new 2d planar carbon allotrope composed of 5–8–5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Popgraphene: a new 2d planar carbon allotrope composed of 5–8–5 carbon rings for high-performance lithium-ion battery anodes from bottom-up programming

Reference 28

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Observation 6b367311-089a-4a6d-b2ec-c3a849db6352 · outbound

This paper cites Proposing todd-graphene as a novel porous 2d carbon allotrope designed for superior lithium-ion battery efficiency.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Proposing todd-graphene as a novel porous 2d carbon allotrope designed for superior lithium-ion battery efficiency

Reference 29

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Observation 74945e56-a576-40d6-abd6-76ccc0562daf · outbound

This paper cites Two-dimensional c 5678: A promising carbon-based high-performance lithium-ion battery anode.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Two-dimensional c 5678: A promising carbon-based high-performance lithium-ion battery anode

Reference 30

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Observation 1ffd1560-ec2a-4de2-91d3-9fa7e6737e0a · outbound

This paper cites A novel 2d carbon allotrope for high-performance metal-ion battery anode material.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A novel 2d carbon allotrope for high-performance metal-ion battery anode material

Reference 31

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Observation ef8257e8-f736-4f09-ba05-9cd9b31346e5 · outbound

This paper cites ψ-graphene: a new metallic allotrope of planar carbon with potential applications as anode materials for lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope ψ-graphene: a new metallic allotrope of planar carbon with potential applications as anode materials for lithium-ion batteries

Reference 32

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.498971Z

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Observation 66e2d47f-c993-4526-a069-ef906692408d · outbound

This paper cites Lc 567: a new 2d semimetallic carbon allotrope as a promising anode material for lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Lc 567: a new 2d semimetallic carbon allotrope as a promising anode material for lithium-ion batteries

Reference 33

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Observation 847f78e2-6733-4238-86e5-95190f574bf2 · outbound

This paper cites A new 2d carbon allotrope c568 as a high-capacity electrode material for lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A new 2d carbon allotrope c568 as a high-capacity electrode material for lithium-ion batteries

Reference 34

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Observation c4c8a60c-4ca1-4bda-96a3-196290ea62d1 · outbound

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Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Net-c18: A predicted two- dimensional planar carbon allotrope and potential for an anode in lithium-ion battery

Reference 35

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Observation ed2ffa4f-d08d-4d2f-afe5-60dc649b5386 · outbound

This paper cites Two-dimensional metallic carbon allotrope with multiple rings for ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Two-dimensional metallic carbon allotrope with multiple rings for ion batteries

Reference 36

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Observation 2e9ecaa4-7c05-4fbb-9678-f0f0441f988f · outbound

This paper cites 2d novel c5n2 allotropes: High-performance anode materials for alkali metal ion battery.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope 2d novel c5n2 allotropes: High-performance anode materials for alkali metal ion battery

Reference 37

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.442862Z

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Observation 1b68dd8f-bcc8-43dc-8b17-dad0363dd700 · outbound

This paper cites A new metallic carbon allotrope with high stability and potential for lithium ion battery anode material.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A new metallic carbon allotrope with high stability and potential for lithium ion battery anode material

Reference 38

Resolution: unresolved; no resolver link, observed 2026-08-11T18:35:50.474439Z

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Observation e2505084-6df4-4998-93b8-9d57f9161478 · outbound

This paper cites Thgraphene: a novel two-dimensional carbon allotrope as a potential multifunctional material for elec- trochemical water splitting and potassium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Thgraphene: a novel two-dimensional carbon allotrope as a potential multifunctional material for elec- trochemical water splitting and potassium-ion batteries

Reference 39

Resolution: unresolved; no resolver link, observed 2026-08-11T18:35:50.479068Z

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Observation 5ce3cdcf-8cc5-40b4-b6a9-832f0faa956f · outbound

This paper cites Photh-graphene: A new 2d carbon allotrope with low barriers for li-ion mobility.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Photh-graphene: A new 2d carbon allotrope with low barriers for li-ion mobility

Reference 40

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Observation 30667354-3866-487c-8d05-ff0e374360b7 · outbound

This paper cites Applications of graphene-based composites in the anode of lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Applications of graphene-based composites in the anode of lithium-ion batteries

Reference 41

Resolution: unresolved; no resolver link, observed 2026-08-11T18:35:50.488486Z

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Observation 5020eaad-b7ea-46b4-a3f4-aa66ca63dbb2 · outbound

This paper cites Pyracyclene: neutral, dication, and dianion.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Pyracyclene: neutral, dication, and dianion

Reference 42

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.386790Z

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Observation 034ef7fe-ce24-4912-804d-64e7dcbe1196 · outbound

This paper cites Pyracylene.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Pyracylene

Reference 43

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.371902Z

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Observation 35c8b091-4b8e-4ea6-a5f2-e76c3148467e · outbound

This paper cites First principles methods using castep.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope First principles methods using castep

Reference 44

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Observation 175a2f9f-c801-4e8e-85ee-7c8b1258c653 · outbound

This paper cites Generalized gradient approximation made simple.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Generalized gradient approximation made simple

Reference 45

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Observation d16a8005-0dd5-421f-9114-f71a58696e96 · outbound

This paper cites A unified formulation of the constant temperature molecular dynamics methods.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A unified formulation of the constant temperature molecular dynamics methods

Reference 46

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Observation c6702882-84a7-4cda-b74c-5fc65faaafe5 · outbound

This paper cites A dft study on the mechanical, electronic, thermody- namic, and optical properties of gan and aln counterparts of biphenylene network.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A dft study on the mechanical, electronic, thermody- namic, and optical properties of gan and aln counterparts of biphenylene network

Reference 47

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Observation 5304db79-66d1-43a1-8b4b-6611dea08031 · outbound

This paper cites A preconditioning scheme for minimum energy path finding methods.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A preconditioning scheme for minimum energy path finding methods

Reference 48

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This paper cites Two-point step size gradient methods.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Two-point step size gradient methods

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This paper cites Structural relaxation made simple.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Structural relaxation made simple

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This paper cites Fast parallel algorithms for short-range molecular dynamics.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Fast parallel algorithms for short-range molecular dynamics

Reference 51

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Observation 796848b8-7709-4423-aacc-5b7b6f3ea8ad · outbound

This paper cites First-principles multiscale modeling of mechanical prop- erties in graphene/borophene heterostructures empowered by machine-learning interatomic potentials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope First-principles multiscale modeling of mechanical prop- erties in graphene/borophene heterostructures empowered by machine-learning interatomic potentials

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.277598Z

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Observation cc360cbe-591f-4f2c-a218-5454e05303f6 · outbound

This paper cites The mlip package: moment tensor potentials with mpi and active learning.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope The mlip package: moment tensor potentials with mpi and active learning

Reference 53

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Observation 17899da9-6cd5-4a5a-92f4-d8fa0ed7fa7a · outbound

This paper cites Active learning of linearly parametrized interatomic potentials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Active learning of linearly parametrized interatomic potentials

Reference 54

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Observation 0914324b-1774-4aec-99e8-a43d438b6f42 · outbound

This paper cites Ab initio molecular dynamics for liquid metals.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Ab initio molecular dynamics for liquid metals

Reference 55

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Observation b7979aa2-73d0-4c0e-8c7e-8ed3e889f911 · outbound

This paper cites Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Reference 56

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Observation 877cc914-0e5a-49a2-b7fc-8f1c844bc370 · outbound

This paper cites Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

Reference 57

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Observation 5af5e066-00e0-4326-ba26-849f5bb7f8e8 · outbound

This paper cites Machine learning interatomic potentials: Keys to first-principles multi- scale modeling.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Machine learning interatomic potentials: Keys to first-principles multi- scale modeling

Reference 58

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This paper cites Exploring the structural sta- bility, thermal and mechanical properties of nanoporous carbon nitride nanosheets using a transferrable machine learning interatomic potential.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Exploring the structural sta- bility, thermal and mechanical properties of nanoporous carbon nitride nanosheets using a transferrable machine learning interatomic potential

Reference 59

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Observation a1b6f85a-1240-4a4a-9002-31a74fd7ab70 · outbound

This paper cites Atomistic modeling of the mechanical properties: the rise of machine learning interatomic potentials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Atomistic modeling of the mechanical properties: the rise of machine learning interatomic potentials

Reference 60

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This paper cites Efficient machine-learning based in- teratomic potentialsfor exploring thermal conductivity in two-dimensional materials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Efficient machine-learning based in- teratomic potentialsfor exploring thermal conductivity in two-dimensional materials

Reference 61

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Observation d5e964cc-5582-42a3-bf10-8518e692bd15 · outbound

This paper cites Electronic, thermal and mechanical properties of carbon and boron nitride holey graphyne monolayers.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Electronic, thermal and mechanical properties of carbon and boron nitride holey graphyne monolayers

Reference 62

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Observation 07829b7e-8cd2-4bfe-a721-346b8b82ee8a · outbound

This paper cites Goldene: An anisotropic metallic monolayer with remarkable stability and rigidity and low lattice thermal conductivity.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Goldene: An anisotropic metallic monolayer with remarkable stability and rigidity and low lattice thermal conductivity

Reference 63

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This paper cites Th-graphyne: a new porous bidimensional carbon allotrope.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Th-graphyne: a new porous bidimensional carbon allotrope

Reference 64

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.143237Z

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Observation 3ee03ba5-617a-4e1d-8175-f62739c49639 · outbound

This paper cites A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting bc2n monolayers.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A machine-learning-based investigation on the mechanical/failure response and thermal conductivity of semiconducting bc2n monolayers

Reference 65

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.126907Z

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Observation 055d90c6-2571-4512-ad65-47644f6bc669 · outbound

This paper cites Anisotropic mechanical response, high negative thermal expansion, and outstanding dynamical stability of biphenylene monolayer revealed by machine-learning interatomic potentials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Anisotropic mechanical response, high negative thermal expansion, and outstanding dynamical stability of biphenylene monolayer revealed by machine-learning interatomic potentials

Reference 66

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Observation 13ab7b06-be1f-4126-9e6c-91372b741bd3 · outbound

This paper cites A first principles investigation on the structural, mechanical, electronic, and catalytic properties of biphenylene.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope A first principles investigation on the structural, mechanical, electronic, and catalytic properties of biphenylene

Reference 67

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Observation ee0f7987-9a08-43ee-b9f8-d8f2c4a0e01b · outbound

This paper cites Energetics of atomic scale structure changes in graphene.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Energetics of atomic scale structure changes in graphene

Reference 68

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.078720Z

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Observation d76d1700-7c41-496b-8a34-b532538e28ad · outbound

This paper cites Lima, Alexandre F Fonseca, Luciano R da Silva, Douglas S Galvao, and Luiz A Ribeiro Junior.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Lima, Alexandre F Fonseca, Luciano R da Silva, Douglas S Galvao, and Luiz A Ribeiro Junior

Reference 69

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Observation fc77d1e8-c4e5-45de-b9a5-1bdf91b8ecd0 · outbound

This paper cites Irida-graphene: A new 2d carbon allotrope.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Irida-graphene: A new 2d carbon allotrope

Reference 70

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Observation f82cdf76-cd7b-4067-a4f7-f32860f76803 · outbound

This paper cites Dodecanophene: A novel 2d carbon allotrope with untunable metallic behavior under stress.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Dodecanophene: A novel 2d carbon allotrope with untunable metallic behavior under stress

Reference 71

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Observation 5635ba5d-34b2-4964-8a1c-497326bc0e07 · outbound

This paper cites Two-dimensional carbon topological in- sulators superior to graphene.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Two-dimensional carbon topological in- sulators superior to graphene

Reference 72

Resolution: unresolved; no resolver link, observed 2026-08-11T18:35:50.638762Z

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This paper cites Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Exploring phononic properties of two-dimensional materials using machine learning interatomic potentials

Reference 73

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:51.022864Z

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Observation 81be972b-8753-4c78-afaa-1041a5db1339 · outbound

This paper cites Effective elastic mechanical properties of single layer graphene sheets.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Effective elastic mechanical properties of single layer graphene sheets

Reference 74

Resolution: unresolved; no resolver link, observed 2026-08-11T18:35:50.648105Z

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Observation f65ea450-1044-4037-a3d5-082c4f8995e0 · outbound

This paper cites Estimation of young’s modulus of graphene by raman spectroscopy.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Estimation of young’s modulus of graphene by raman spectroscopy

Reference 75

Resolution: unresolved; no resolver link, observed 2026-08-11T18:35:50.652766Z

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Observation 4ccb7ea1-9abb-4c8c-973c-01307265d2f9 · outbound

This paper cites an unresolved cited work.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Unresolved cited work

Reference 76

Resolution: unresolved; raw_fallback, observed 2026-08-11T18:35:50.986761Z

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Observation b3c7424f-e112-4a78-b601-954398512748 · outbound

This paper cites Li-decorated 2d irida-graphene as a potential hydrogen storage material: A dispersion-corrected density functional theory calculations.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Li-decorated 2d irida-graphene as a potential hydrogen storage material: A dispersion-corrected density functional theory calculations

Reference 77

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Observation b7cd26bc-220b-4fab-9105-a0c5033195cd · outbound

This paper cites Hy- drogen storage in li dispersed graphene with stone–wales defects: a first-principles study.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Hy- drogen storage in li dispersed graphene with stone–wales defects: a first-principles study

Reference 78

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.956484Z

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Observation 60431f95-effb-4392-a142-1b8161a04d50 · outbound

This paper cites Lithium decorated ψ-graphene as a potential hydrogen storage material: density functional theory investigations.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Lithium decorated ψ-graphene as a potential hydrogen storage material: density functional theory investigations

Reference 79

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.940454Z

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Observation a75332b7-4660-4f16-8890-c0d997989d65 · outbound

This paper cites Density functional theory study on hydrogen storage capacity of metal-embedded penta-octa-graphene.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Density functional theory study on hydrogen storage capacity of metal-embedded penta-octa-graphene

Reference 80

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.924920Z

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Observation 129b7163-a2b7-45b4-93ee-72adf5fab176 · outbound

This paper cites Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Ab initio study of lithium decoration of popgraphene and hydrogen storage capacity of the hybrid nanostructure

Reference 81

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.909606Z

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Observation 935e458c-201f-4d22-9d81-1f7b08edbeb7 · outbound

This paper cites Potential hydrogen storage materials from li decorated n-doped me-graphene.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Potential hydrogen storage materials from li decorated n-doped me-graphene

Reference 82

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.893783Z

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Observation 7fcf6c53-a9f3-4dd2-a0d9-b2b00f45f8a3 · outbound

This paper cites Planar net- τ : A new high-performance metallic carbon anode material for lithium-ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Planar net- τ : A new high-performance metallic carbon anode material for lithium-ion batteries

Reference 83

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.877714Z

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Observation f7f73c7b-ceba-4418-98b2-66516c6aa339 · outbound

This paper cites Lithium adsorption on graphene at finite temperature.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Lithium adsorption on graphene at finite temperature

Reference 84

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.862551Z

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Observation d7d909b0-2956-4462-9073-a083a2cab194 · outbound

This paper cites Graphene in lithium ion battery cathode materials: A review.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Graphene in lithium ion battery cathode materials: A review

Reference 85

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.846686Z

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Observation 0679f520-4757-474a-8418-485b5ac09e08 · outbound

This paper cites Graphene nanosheets for enhanced lithium storage in lithium ion batteries.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Graphene nanosheets for enhanced lithium storage in lithium ion batteries

Reference 86

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.829023Z

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Observation bdff1fd0-505a-4389-9ef7-8ebe3523c504 · outbound

This paper cites Folded structured graphene pa- per for high performance electrode materials.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Folded structured graphene pa- per for high performance electrode materials

Reference 87

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.811339Z

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Observation f9963108-7cb8-42f5-8393-32e94773894e · outbound

This paper cites Thermodynamic and kinetic properties of the li-graphite system from first-principles calcula- tions.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Thermodynamic and kinetic properties of the li-graphite system from first-principles calcula- tions

Reference 88

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.796381Z

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Observation 714d0312-f989-43bb-8f19-2e29e180f05b · outbound

This paper cites Twin-graphene: a promising anode material for lithium-ion batteries with ultrahigh specific capacity.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Twin-graphene: a promising anode material for lithium-ion batteries with ultrahigh specific capacity

Reference 89

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.779121Z

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Observation 78de35e0-ec2c-4a4e-84e1-8c748272a1b0 · outbound

This paper cites Qpht graphene as a high- performance lithium ion battery anode materials with low diffusion barrier and high capacity.

Structural, Electronic, and Li-ion Adsorption Properties of PolyPyGY Explored by First-Principles and Machine Learning Simulations: A New Multi-Ringed 2D Carbon Allotrope Qpht graphene as a high- performance lithium ion battery anode materials with low diffusion barrier and high capacity

Reference 90

Resolution: verified fuzzy; raw_fallback, observed 2026-08-11T18:35:50.763477Z

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