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The paper argues that the non-polar m-plane of ZnO is the only facet that preserves WS2's direct gap and type-I alignment, and that a quadruply charged sulfur–zinc vacancy pair, with a formation energy of 2.61 eV, then becomes the dominant

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2026-08-01 00:52 UTC pith:TN3TCV52

load-bearing objection The m-plane facet screening is worth reading, but the defect-pair centerpiece is contradicted by the paper's own formation energies. the 4 major comments →

arxiv 2607.25999 v1 pith:TN3TCV52 submitted 2026-07-28 cond-mat.mtrl-sci

Facet-Dependent Electronic Properties and Interfacial Point Defect Interactions in WS₂/ZnO Heterostructures

Dedi Sutarma , Peter Kratzer This is my paper
classification cond-mat.mtrl-sci
keywords WS2/ZnO heterostructurefacet-dependent electronic propertiespoint defectsvacancy pairshybrid DFTband alignmentlight-emitting diodesdefect thermodynamics
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved

The pith

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

Using hybrid-functional first-principles calculations, the paper compares WS2 monolayers on three ZnO facets and argues that only the non-polar m-plane keeps the direct 2.42 eV bandgap and type-I alignment needed for carrier confinement in a light-emitting diode. It then shows that the interface is a defect sink: isolated sulfur and oxygen vacancies form deep traps, while zinc vacancies act as shallow acceptors. Near the conduction band, the fully ionized (VS−VZn)'''' cluster binds across the van der Waals gap, and despite Coulomb repulsion weakening its binding, its formation energy falls to 2.61 eV under anion-poor conditions, making it the most abundant defect pair. The paper frames these defects as the microscopic origin of efficiency droop and proposes that suppressing them is the key to efficient 2D/3D hybrid LEDs.

Core claim

The central discovery is that the WS2/ZnO interface behaves as a thermodynamic sink for vacancies, and under n-type conditions the dominant defect is not an isolated vacancy but the quadruply charged (VS−VZn)'''' pair. Although the Coulomb repulsion between two negatively charged vacancies weakens their mutual binding (−0.22 eV at the interface), the strong qE_F term at the conduction-band edge lowers the pair's formation energy to 2.61 eV under anion-poor conditions, below all competing neutral and charged pairs. This makes the −4 cluster the most abundant source of deep in-gap states at the junction, and hence the primary non-radiative recombination center. The paper additionally finds tha

What carries the argument

The key machinery is the defect formation energy formalism combined with binding-energy decomposition, evaluated in a large 3×3×1 supercell of the sandwiched ZnO/WS2/ZnO interface with a hybrid density functional and an electrostatic finite-size correction for charged defects. The binding energy separates the thermodynamic stability of a pair into the formation energies of its isolated constituents, exposing how the qE_F term and inter-defect Coulomb repulsion compete. The paper's main object is the (VS−VZn)'''' pair—a quadruply charged sulfur vacancy in WS2 paired with a zinc vacancy at the ZnO interface—whose low formation energy (2.61 eV) and deep levels make it the decisive defect cluste

Load-bearing premise

The entire defect ranking assumes that a single ~270-atom supercell with a 2×2×1 k-mesh, no spin-orbit coupling, and electrostatic corrections gives formation and binding energies converged to well below the roughly one electron-volt differences that decide which vacancy pair dominates, yet no convergence tests are reported and the tables show unexplained energy inconsistencies.

What would settle it

Compute the formation energy of the (VS−VZn)'''' pair in a larger supercell (e.g., 4×4×1) and with a denser k-mesh; if its formation energy shifts by more than ~0.5 eV or becomes higher than the neutral (VS−VO) pair, the paper's central claim that the −4 cluster is the most abundant defect pair collapses.

Watch this falsifier — get emailed when new claim-graph text bears on it.

If this is right

  • m-plane is the preferred substrate for WS2/ZnO LEDs; a-plane and hydroxylated c-plane destroy the direct gap or shift to type-II alignment.
  • Sulfur and interfacial oxygen vacancies are the main non-radiative traps; suppressing them (e.g., by oxygen substitution on sulfur sites) should raise internal quantum efficiency.
  • The (VS−VZn)'''' pair dominates under n-type conditions, so LED designs that push the Fermi level toward the conduction band will automatically populate this killer defect; passivation must target both vacancies.
  • Oxygen self-passivation is exothermic by 0.91 eV, converting sulfur vacancies to OS plus an interfacial oxygen vacancy—a built-in healing path that trades electron traps for hole traps.
  • Hydrogen acts as a shallow donor, but in the presence of zinc vacancies it compensates rather than dopes, meaning hydrogenation cannot raise the electron density unless VZn is suppressed.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • If the formation-energy ranking holds, growth under anion-rich conditions (which raises the formation energy of VS and thus of the −4 pair) could suppress the dominant trap, at the cost of favoring OS substitution—a trade-off the paper does not quantify.
  • The trend reversal for charged pairs—stronger binding in bulk ZnO than at the interface—suggests that under heavy n-type doping, the killer defects may prefer the ZnO transport layer rather than the 2D channel, which would change where passivation is needed.
  • The paper's binding-energy analysis implies that strain or a different dielectric spacer that changes the van der Waals gap width should alter both the Coulomb repulsion and the qE_F stabilization; this is a testable prediction for engineering the interface.
  • The oxygen-transfer self-passivation reaction suggests that post-growth annealing in an oxygen-containing atmosphere might convert sulfur vacancies into OS while leaving VO-inter hole traps; whether this net-reduces recombination depends on the relative capture cross-sections, which the paper does not compute.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit.

Referee Report

4 major / 5 minor

Summary. The paper uses hybrid DFT to screen WS2/ZnO heterostructures on three ZnO facets, concluding that the non-polar m-plane is optimal (direct 2.42 eV bandgap, type-I alignment), and then studies isolated native point defects and defect pairs in a sandwiched model. The central defect-related claims are that neutral vacancies cluster across the van der Waals gap because of negative binding energies, that under n-type conditions the (VS−VZn)'''' pair with formation energy 2.61 eV is the most thermodynamically abundant defect pair, and that interstitial hydrogen is compensated by zinc vacancies without shifting band edges.

Significance. If the results held, the work would provide a useful microscopic framework for substrate selection and defect engineering in 2D/3D hybrid LEDs. The study is broad in scope: it includes three facets, ten defect species, charged defect corrections (FNV), a secondary-phase stability diagram, and a hydrogen-compensation analysis. These are genuine strengths and the computational setup is largely state-of-the-art. However, the central defect-pair conclusion is contradicted by the paper's own tables, which makes the main advance unreliable.

major comments (4)
  1. [Interaction of Point Defects, Eq. (2) and Table 3] Applying Eq. (2), Eb = Ef(pair) − [Ef(A)+Ef(B)], to the neutral pair formation energies in Table 3 and the neutral single-defect formation energies in Table 2 gives positive binding energies for every neutral pair under anion-poor conditions. For example, (VS−VO,int)^0: 4.81 − (2.84 + 1.41) = +0.56 eV, not −0.58 eV; (VS−VO,bulk)^0 = +0.55 eV; (VS−VZn,int)^0 = +0.10 eV; (VS−VZn,bulk)^0 = +0.53 eV. Thus the Abstract and Conclusion statements that 'neutral vacancies cluster across the van der Waals gap due to favorable negative binding energies' are not supported by the reported data. The SI total-energy derivation (Eqs. 3–5) cannot rescue this: if both the pair and single-defect formation energies in Tables 2 and 3 were produced with the same definition, the chemical potentials cancel identically and the two formulations must agree. The discrepancy of ~0.7–1.6 eV is far too large to be att
  2. [Interaction of Point Defects, Table 3 and Fig. 5] The claim that (VS−VZn,int)'''' has formation energy 2.61 eV under anion-poor conditions and is 'the most thermodynamically abundant defect pair' cannot be checked from the reported data. The isolated charged formation energies at EF = 2.3 eV are not given anywhere in the paper; Table 2 only reports neutral formation energies. Without Ef(VS^{−2}) and Ef(VZn,int^{−2}) at the same Fermi level, the reader cannot evaluate Eq. (2) for the charged pair, nor verify the quoted binding energy (−0.22 eV), nor compare the pair's abundance against competing charged species. This traceability gap undermines the main quantitative conclusion.
  3. [Methods, Interfacial Defect Calculations] The defect calculations use a single 3×3×1 (~270-atom) supercell, a 2×2×1 k-mesh, no spin-orbit coupling, and a no-vacuum cell with FNV corrections. No convergence tests are reported for supercell size, k-mesh density, or the FNV correction scheme. The energy differences that decide the sign of the binding energy and the relative abundance of defect pairs are on the order of 0.1–1.0 eV; the internal inconsistency in Table 3 indicates that the energy accounting is not reliable at this level. Systematic convergence checks are essential before the defect-pair conclusions can be accepted.
  4. [Methods, hybrid functional and facet screening] The hybrid mixing fraction α = 0.375 is a hand-tuned parameter. The paper states that even with this choice the band gaps are underestimated relative to G0W0 (2.9 eV for ZnO, 2.3 eV for WS2), yet no sensitivity analysis is reported. Because the Fermi-level position EF = 2.3 eV used for charged pairs is tied to the computed CBM, and because defect transition levels depend on band alignment, the charge-state assignments underlying the pair analysis are sensitive to α. A robustness check (e.g., α = 0.25 and α = 0.40) is needed to establish that the qualitative conclusions do not depend on this free parameter.
minor comments (5)
  1. [Results, a-plane] The phrase 'direct optical band gap is 0.1X eV larger' contains a placeholder 'X'; presumably a numerical value is intended.
  2. [Introduction] Typos: 'an high exciton binding energy', 'intrinisc', 'looses two electrons', 'can be explaining by'. These should be corrected.
  3. [Table 2] The row for VS–W1 lists '2.31 −4.6' without a clear separator; the table formatting makes it hard to distinguish bond distance from percentage deviation.
  4. [References] Reference 4 and reference 6 are the same paper (Kim et al., ACS Nano 2016). Please consolidate.
  5. [Supporting Information, Table S1] The chemical potentials in Table S1 are given as absolute values (eV) but the notation μ_i is used for both the absolute and relative chemical potential; clarify that Δμ_i are the relative values used in the formation-energy expressions.

Circularity Check

0 steps flagged

No significant circularity; internal Table 3 binding-energy inconsistency is a correctness concern, not a circular derivation.

full rationale

The paper's derivation chain is largely self-contained. Interface facet selection is a direct DFT total-energy/band-structure comparison; defect formation and binding energies are computed from total-energy differences (Eq. 1, SI Eqs. 3–5) in which chemical potentials and Fermi-level terms cancel for Eb. The hybrid mixing fraction α=0.375 is stated as a method choice and benchmarked against G0W0; there is no evidence that the defect-pair conclusions are fitted to that parameter. The only self-citation (Ref. 38, a prior paper by Sutarma/Kratzer) is used alongside Ref. 37 to characterize VS states as persistent electron traps; this is a side remark, not a load-bearing premise. A separate internal-consistency problem exists: applying Eq. (2) to Tables 2 and 3 yields positive neutral-pair Eb values (e.g., (VS−VO,int)^0 anion-poor: 4.81−(2.84+1.41)=+0.56 eV), contradicting the tabulated −0.58 eV. This is a serious correctness/reproducibility issue for the central clustering claim, but it is a numerical inconsistency rather than a circular reduction of the prediction to its input. Therefore, no circular step meeting the required evidence standard is identified.

Axiom & Free-Parameter Ledger

3 free parameters · 5 axioms · 0 invented entities

The computational results depend on standard DFT practice plus several hand-chosen settings: the non-standard exchange fraction α=0.375, representative Fermi level 2.3 eV, and two growth-regime endpoints. No new physical entities are introduced. The supercell/k-grid/SOC assumptions are load-bearing because the defect-pair ranking hinges on energy differences of ~1 eV.

free parameters (3)
  • HSE exact-exchange fraction α = 0.375
    Non-standard mixing fraction used for all hybrid DFT. It directly controls computed band gaps, band offsets, and defect levels; no sensitivity analysis is reported (Methods: Interface Facet Screening).
  • Fermi level for charged defect pairs = 2.3 eV
    Charged-pair formation energies and the dominance of (VS−VZn)'''' are evaluated at a single representative n-type Fermi level near the CBM; conclusions depend on this choice (Table 3).
  • Growth regime endpoints = anion-poor: Δμ_W=Δμ_Zn=0; anion-rich: Δμ_S=Δμ_O=0
    These two boundary conditions bracket the chemical-potential space; quantitative formation energies are endpoint-specific (Methods; SI Table S1).
axioms (5)
  • domain assumption Hybrid HSE(α=0.375)+DFT-D3 accurately describes electronic structure and defect energetics of the WS2/ZnO vdW interface.
    All band alignments, gap character, and formation energies rest on this; no experimental validation or convergence study is provided.
  • domain assumption A 6-layer ZnO slab with pseudo-hydrogen passivation and a 20 Å vacuum represents the semi-infinite substrate for facet screening.
    Surface/interface energetics and band bending depend on slab thickness and passivation; no convergence checks shown.
  • domain assumption A 3×3×1 (~270-atom) supercell with a 2×2×1 k-grid and no SOC gives converged defect formation energies and pair binding energies.
    SOC included in facet screening but omitted for defects; no convergence checks with respect to supercell size, k-grid, or SOC are reported.
  • domain assumption FNV correction is valid for charged defects in a no-vacuum periodic sandwich geometry.
    Charged-defect and pair energetics rely on this correction; no verification against larger cells is given.
  • domain assumption Chemical potentials are bounded by bulk formation enthalpies and secondary-phase limits, and the two growth endpoints bracket realistic synthesis.
    Defect formation energies and the 2.61 eV value are evaluated at these endpoints.

pith-pipeline@v1.3.0-alltime-deepseek · 22310 in / 15462 out tokens · 138423 ms · 2026-08-01T00:52:58.274703+00:00 · methodology

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read the original abstract

Aiming at two-dimensional materials for high-efficiency optoelectronics, WS$2$/ZnO heterostructures are computationally screened for their facet-dependent electronic properties and interfacial defect thermodynamics using first-principles hybrid functional calculations. Interface comparison identifies the non-polar ($10\overline{1}0$) $m$-plane as the optimal substrate facet, maintaining a direct 2.42~eV bandgap and a robust type-I band alignment. Isolated sulfur ($\mathrm{V_S}$) and interfacial oxygen ($\mathrm{V_O}$) vacancies introduce deep non-radiative recombination centers. Conversely, zinc vacancies ($\mathrm{V{Zn}}$) act as shallow acceptors near the valence band edge, contributing to unintentional $p$-type behavior. Analysis of defect pairs reveals that neutral vacancies cluster across the van der Waals gap due to favorable binding energies. Under $n$-type conditions, defects stabilize as charged species. Although inter-layer Coulomb repulsion weakens the binding energy of $(\mathrm{V_S} - \mathrm{V_{Zn}})''''$ pairs, their formation energy drops to 2.61~eV under anion-poor conditions, making the $-4$ cluster the most thermodynamically abundant defect pair at the interface. Furthermore, native $\mathrm{V_{Zn}}$ prevents the Fermi level rise typically induced by interstitial hydrogen ($\mathrm{H_i}$), distributing donated electrons into shallow acceptor states and preserving host band edge rigidity. These findings establish a microscopic framework for substrate selection and defect engineering in 2D/3D hybrid light-emitting diodes.

Figures

Figures reproduced from arXiv: 2607.25999 by Dedi Sutarma, Peter Kratzer.

Figure 1
Figure 1. Figure 1: Structural and electronic characterization of the [PITH_FULL_IMAGE:figures/full_fig_p004_1.png] view at source ↗
Figure 2
Figure 2. Figure 2: Structural and electronic characterization of the [PITH_FULL_IMAGE:figures/full_fig_p005_2.png] view at source ↗
Figure 3
Figure 3. Figure 3: Structural and electronic characterization of the [PITH_FULL_IMAGE:figures/full_fig_p006_3.png] view at source ↗
Figure 4
Figure 4. Figure 4: Schematic of analyzed point defects in WS [PITH_FULL_IMAGE:figures/full_fig_p008_4.png] view at source ↗
Figure 5
Figure 5. Figure 5: Defect formation energies as a function of Fermi level for the WS [PITH_FULL_IMAGE:figures/full_fig_p012_5.png] view at source ↗
Figure 6
Figure 6. Figure 6: Electronic and thermodynamic characterization of single point defects in the [PITH_FULL_IMAGE:figures/full_fig_p013_6.png] view at source ↗
Figure 7
Figure 7. Figure 7: Interfacial oxygen transfer and electronic passivation mechanisms. a) Schematic [PITH_FULL_IMAGE:figures/full_fig_p016_7.png] view at source ↗
Figure 8
Figure 8. Figure 8: Calculated electronic band structures for interstitial hydrogen (H [PITH_FULL_IMAGE:figures/full_fig_p021_8.png] view at source ↗

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Reference graph

Works this paper leans on

293 extracted references · 236 canonical work pages

  1. [1]

    Transition levels of defect centers in ZnO by hrbrid functionals and localized basis set approach , journal =

    Federico Gallino and Gianfranco Pacchioni and Cristina. Transition levels of defect centers in ZnO by hrbrid functionals and localized basis set approach , journal =. doi:10.1063/1.3491271 , year =

    work page doi:10.1063/1.3491271

  2. [2]

    Hong, Jinhua and Hu, Zhixin and Probert, Matt and Li, Kun and Lv, Danhui and Yang, Xinan and Gu, Lin and Mao, Nannan and Feng, Qingliang and Xie, Liming and Zhang, Jin and Wu, Dianzhong and Zhang, Zhiyong and Jin, Chuanhong and Ji, Wei and Zhang, Xixiang and Yuan, Jun and Zhang, Ze , title =. Nat. Commun. , doi =. 2015 , volume =

    2015

  3. [3]

    Physical Review Materials , volume=

    Insights into oxygen vacancies from high-throughput first-principles calculations , author=. Physical Review Materials , volume=. 2021 , publisher=

    2021

  4. [4]

    A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in

    Alaa Akkoush and Yair Litman and Mariana Rossi , journal =. A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in. 2025 , publisher =

    2025

  5. [5]

    , journal =

    Komsa, Hannu-Pekka and Krasheninnikov, Arkady V. , journal =. Native defects in bulk and monolayer. 2015 , month =. doi:10.1103/PhysRevB.91.125304 , url =

    doi:10.1103/physrevb.91.125304 2015

  6. [6]

    and Jain, Manish , journal =

    Naik, Mit H. and Jain, Manish , journal =. Substrate screening effects on the quasiparticle band gap and defect charge transition levels in. 2018 , month =. doi:10.1103/PhysRevMaterials.2.084002 , url =

    work page doi:10.1103/physrevmaterials.2.084002 2018

  7. [7]

    and Freysoldt, Christoph and Hennig, Richard G

    Tan, Anne Marie Z. and Freysoldt, Christoph and Hennig, Richard G. , journal =. Stability of charged sulfur vacancies in 2D and bulk. 2020 , month =. doi:10.1103/PhysRevMaterials.4.064004 , url =

    work page doi:10.1103/physrevmaterials.4.064004 2020

  8. [8]

    , date =

    Bertoldo, Fabian and Ali, Sajid and Manti, Simone and Thygesen, Kristian S. , date =. Quantum point defects in 2D materials - the QPOD database , url =. npj Computational Materials , number =. 2022 , bdsk-url-1 =. doi:10.1038/s41524-022-00730-w , id =

    doi:10.1038/s41524-022-00730-w 2022

  9. [9]

    Chemical Science , author =

    Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons , volume =. Chemical Science , author =. 2021 , pages =. doi:10.1039/D1SC03368A , abstract =

    work page doi:10.1039/d1sc03368a 2021

  10. [10]

    ACS Nano , author =

    Theory of. ACS Nano , author =. 2016 , pages =. doi:10.1021/acsnano.5b07676 , abstract =

    work page doi:10.1021/acsnano.5b07676 2016

  11. [11]

    Chemical Reviews , author =

    Dispersion-. Chemical Reviews , author =. 2016 , pages =. doi:10.1021/acs.chemrev.5b00533 , abstract =

    doi:10.1021/acs.chemrev.5b00533 2016

  12. [12]

    Physical Review B , author =

    Theory of double-resonant. Physical Review B , author =. 2011 , pages =. doi:10.1103/PhysRevB.84.035433 , language =

    work page doi:10.1103/physrevb.84.035433 2011

  13. [13]

    Simulation of the

    Sun, Shuai , pages =. Simulation of the

  14. [14]

    The Journal of Chemical Physics , author =

    The momentum of models , volume =. The Journal of Chemical Physics , author =. 2021 , pages =. doi:10.1063/5.0023891 , abstract =

    work page doi:10.1063/5.0023891 2021

  15. [15]

    Nature Communications , author =

    Optical separation of mechanical strain from charge doping in graphene , volume =. Nature Communications , author =. 2012 , pages =. doi:10.1038/ncomms2022 , language =

    work page doi:10.1038/ncomms2022 2012

  16. [16]

    ACS Central Science , author =

    Raman. ACS Central Science , author =. 2015 , pages =. doi:10.1021/acscentsci.5b00021 , abstract =

    work page doi:10.1021/acscentsci.5b00021 2015

  17. [17]

    ChemPhysChem , author =

    Density. ChemPhysChem , author =. 2006 , pages =. doi:10.1002/cphc.200500673 , language =

    work page doi:10.1002/cphc.200500673 2006

  18. [18]

    Journal of Nuclear Materials , author =

    Weak and strong hydrogen interactions on porous carbon materials in high-temperature systems , volume =. Journal of Nuclear Materials , author =. 2019 , pages =. doi:10.1016/j.jnucmat.2019.03.036 , abstract =

    work page doi:10.1016/j.jnucmat.2019.03.036 2019

  19. [19]

    ACS Catalysis , author =

    What. ACS Catalysis , author =. 2019 , pages =. doi:10.1021/acscatal.8b04317 , abstract =

    work page doi:10.1021/acscatal.8b04317 2019

  20. [20]

    Applied Catalysis A: General , author =

    Dehydroaromatization of methane over. Applied Catalysis A: General , author =. 2015 , pages =. doi:10.1016/j.apcata.2015.06.035 , abstract =

    work page doi:10.1016/j.apcata.2015.06.035 2015

  21. [21]

    Journal of Catalysis , author =

    Hydrodeoxygenation of m-cresol over gallium-modified beta zeolite catalysts , volume =. Journal of Catalysis , author =. 2012 , pages =. doi:10.1016/j.jcat.2012.03.003 , abstract =

    work page doi:10.1016/j.jcat.2012.03.003 2012

  22. [22]

    Journal of Catalysis , author =

    The crystal structure of the zeolite hydrogen faujasite , volume =. Journal of Catalysis , author =. 1969 , pages =. doi:10.1016/0021-9517(69)90395-9 , language =

    work page doi:10.1016/0021-9517(69)90395-9 1969

  23. [23]

    Chemical Reviews , author =

    Recent. Chemical Reviews , author =. 2015 , pages =. doi:10.1021/cr500486u , language =

    work page doi:10.1021/cr500486u 2015

  24. [24]

    Nature Reviews Methods Primers , author =

    Solid-state. Nature Reviews Methods Primers , author =. 2021 , pages =. doi:10.1038/s43586-020-00002-1 , abstract =

    work page doi:10.1038/s43586-020-00002-1 2021

  25. [25]

    Journal of Electron Microscopy , author =

    Optimizing the environment for sub-0.2 nm scanning transmission electron microscopy , volume =. Journal of Electron Microscopy , author =. 2001 , pages =. doi:10.1093/jmicro/50.3.219 , abstract =

    work page doi:10.1093/jmicro/50.3.219 2001

  26. [26]

    Journal of Electron Microscopy Technique , author =

    High-. Journal of Electron Microscopy Technique , author =. 1991 , pages =. doi:10.1002/jemt.1060170209 , abstract =

    work page doi:10.1002/jemt.1060170209 1991

  27. [27]

    Proceedings of the Geologists' Association , author =

    Laser ablation. Proceedings of the Geologists' Association , author =. 2007 , pages =. doi:10.1016/S0016-7878(07)80043-5 , language =

    work page doi:10.1016/s0016-7878(07)80043-5 2007

  28. [28]

    Clinical Biochemist Reviews , author =

    Inductively. Clinical Biochemist Reviews , author =. 2019 , pages =. doi:10.33176/AACB-19-00024 , abstract =

    work page doi:10.33176/aacb-19-00024 2019

  29. [29]

    Sensors , author =

    Surface. Sensors , author =. 2006 , pages =. doi:10.3390/s6101345 , abstract =

    work page doi:10.3390/s6101345 2006

  30. [30]

    and Chen, G.F

    Liu, P.S. and Chen, G.F. , editor =. Chapter. 2014 , keywords =. doi:10.1016/B978-0-12-407788-1.00010-1 , booktitle =

    work page doi:10.1016/b978-0-12-407788-1.00010-1 2014

  31. [31]

    and Cohen, Jerome B

    Schwartz, Lyle H. and Cohen, Jerome B. , year =. Diffraction from. doi:10.1007/978-3-642-82927-7 , language =

    work page doi:10.1007/978-3-642-82927-7

  32. [32]

    , year =

    Epp, J. , year =. X-ray diffraction (. Materials. doi:10.1016/B978-0-08-100040-3.00004-3 , language =

    work page doi:10.1016/b978-0-08-100040-3.00004-3

  33. [33]

    ACS Nano , author =

    Tutorial on. ACS Nano , author =. 2019 , pages =. doi:10.1021/acsnano.9b05157 , language =

    work page doi:10.1021/acsnano.9b05157 2019

  34. [34]

    Chronicles of Young Scientists , author =

    Methods for the determination of limit of detection and limit of quantitation of the analytical methods , volume =. Chronicles of Young Scientists , author =. 2011 , pages =. doi:10.4103/2229-5186.79345 , abstract =

    arXiv 2011

  35. [35]

    Chemistry Central Journal , author =

    Limit of detection and limit of quantification development procedures for organochlorine pesticides analysis in water and sediment matrices , volume =. Chemistry Central Journal , author =. 2013 , pages =. doi:10.1186/1752-153X-7-63 , abstract =

    work page doi:10.1186/1752-153x-7-63 2013

  36. [36]

    Pharmeuropa scientific notes , author =

    Evaporative light scattering detection (. Pharmeuropa scientific notes , author =. 2006 , note =

    2006

  37. [37]

    Metabolomics , author =

    Liquid chromatography–mass spectrometry-based metabolomics for authenticity assessment of fruit juices , volume =. Metabolomics , author =. 2012 , pages =. doi:10.1007/s11306-011-0371-7 , abstract =

    work page doi:10.1007/s11306-011-0371-7 2012

  38. [38]

    Chromatographic

    Lozano-Sánchez, Jesús and Borrás-Linares, Isabel and Sass-Kiss, Agnes and Segura-Carretero, Antonio , year =. Chromatographic. Modern. doi:10.1016/B978-0-12-814264-6.00013-X , language =

    work page doi:10.1016/b978-0-12-814264-6.00013-x

  39. [39]

    The Journal of Physical Chemistry B , author =

    Computational. The Journal of Physical Chemistry B , author =. 2010 , pages =. doi:10.1021/jp101418f , language =

    work page doi:10.1021/jp101418f 2010

  40. [40]

    Proceedings of the National Academy of Sciences , author =

    Guest–host interactions of a rigid organic molecule in porous silica frameworks , volume =. Proceedings of the National Academy of Sciences , author =. 2014 , pages =. doi:10.1073/pnas.1323989111 , abstract =

    work page doi:10.1073/pnas.1323989111 2014

  41. [41]

    ACS Catalysis , author =

    Phenomena. ACS Catalysis , author =. 2016 , pages =. doi:10.1021/acscatal.6b02532 , abstract =

    work page doi:10.1021/acscatal.6b02532 2016

  42. [42]

    Green Chemistry , author =

    Gamma-valerolactone, a sustainable platform molecule derived from lignocellulosic biomass , volume =. Green Chemistry , author =. 2013 , pages =. doi:10.1039/c3gc37065h , language =

    work page doi:10.1039/c3gc37065h 2013

  43. [43]

    Carbohydrate Research , author =

    Complete. Carbohydrate Research , author =. 2022 , pages =. doi:10.1016/j.carres.2021.108477 , abstract =

    arXiv 2022

  44. [44]

    Journal of the American Chemical Society , author =

    Detailed tautomeric equilibrium of aqueous. Journal of the American Chemical Society , author =. 1987 , pages =. doi:10.1021/ja00244a063 , language =

    work page doi:10.1021/ja00244a063 1987

  45. [45]

    The Journal of Organic Chemistry , author =

    Prediction of the ^. The Journal of Organic Chemistry , author =. 2007 , pages =. doi:10.1021/jo071129v , language =

    work page doi:10.1021/jo071129v 2007

  46. [46]

    ACS Catalysis , author =

    Operando. ACS Catalysis , author =. 2017 , pages =. doi:10.1021/acscatal.7b01045 , abstract =

    work page doi:10.1021/acscatal.7b01045 2017

  47. [47]

    Proceedings of the National Academy of Sciences , author =

    Metalloenzyme-like catalyzed isomerizations of sugars by. Proceedings of the National Academy of Sciences , author =. 2012 , pages =. doi:10.1073/pnas.1206708109 , abstract =

    work page doi:10.1073/pnas.1206708109 2012

  48. [48]

    Scientific Reports , author =

    Solid-state. Scientific Reports , author =. 2016 , pages =. doi:10.1038/srep37350 , language =

    work page doi:10.1038/srep37350 2016

  49. [49]

    Nature Communications , author =

    Sn-. Nature Communications , author =. 2012 , pages =. doi:10.1038/ncomms2122 , language =

    work page doi:10.1038/ncomms2122 2012

  50. [50]

    The Journal of Physical Chemistry , author =

    Determination of gallium in. The Journal of Physical Chemistry , author =. 1992 , pages =. doi:10.1021/j100181a047 , language =

    work page doi:10.1021/j100181a047 1992

  51. [51]

    MATERIALS TRANSACTIONS , author =

    Reduction of. MATERIALS TRANSACTIONS , author =. 2011 , pages =. doi:10.2320/matertrans.M2011118 , language =

    work page doi:10.2320/matertrans.m2011118 2011

  52. [52]

    Influence of particle agglomeration on the catalytic activity of carbon-supported. Phys. Chem. Chem. Phys. , author =. 2005 , pages =. doi:10.1039/B411377B , language =

    work page doi:10.1039/b411377b 2005

  53. [53]

    Price, Geoffrey L , pages =. Ga203/

  54. [54]

    1930 , pages =

    Journal of the American Chemical Society , author =. 1930 , pages =. doi:10.1021/ja01374a023 , language =

    work page doi:10.1021/ja01374a023 1930

  55. [55]

    Organic & Biomolecular Chemistry , author =

    Pd/. Organic & Biomolecular Chemistry , author =. 2011 , pages =. doi:10.1039/c0ob00985g , language =

    work page doi:10.1039/c0ob00985g 2011

  56. [56]

    Organometallics , author =

    The. Organometallics , author =. 2016 , pages =. doi:10.1021/acs.organomet.6b00660 , abstract =

    work page doi:10.1021/acs.organomet.6b00660 2016

  57. [57]

    RSC Advances , author =

    Catalytic performance of gallium oxide based-catalysts for the propane dehydrogenation reaction: effects of support and loading amount , volume =. RSC Advances , author =. 2017 , pages =. doi:10.1039/C6RA27204E , abstract =

    work page doi:10.1039/c6ra27204e 2017

  58. [58]

    Investigation of zeolites by photoelectron and ion scattering spectroscopy , language =

    Wark, M , pages =. Investigation of zeolites by photoelectron and ion scattering spectroscopy , language =

  59. [59]

    The Journal of Physical Chemistry B , author =

    The. The Journal of Physical Chemistry B , author =. 2003 , pages =. doi:10.1021/jp021948d , language =

    work page doi:10.1021/jp021948d 2003

  60. [60]

    Langmuir , author =

    Validity of the. Langmuir , author =. 2014 , pages =. doi:10.1021/la5026679 , abstract =

    work page doi:10.1021/la5026679 2014

  61. [61]

    Langmuir , author =

    Phase. Langmuir , author =. 2019 , pages =. doi:10.1021/acs.langmuir.9b01748 , abstract =

    work page doi:10.1021/acs.langmuir.9b01748 2019

  62. [62]

    Applied Catalysis , author =

    Aromatization of ethane over gallium-promoted. Applied Catalysis , author =. 1991 , pages =. doi:10.1016/0166-9834(91)80086-C , abstract =

    work page doi:10.1016/0166-9834(91)80086-c 1991

  63. [63]

    Catalytic

    Jun, Ki-Won and Lee, Hye-Soon and Roh, Hyun-Seog , pages =. Catalytic

  64. [64]

    Nature Nanotechnology , author =

    The. Nature Nanotechnology , author =. 2011 , pages =. doi:10.1038/nnano.2011.145 , language =

    work page doi:10.1038/nnano.2011.145 2011

  65. [65]

    Metallic ion leaching from heterogeneous catalysts: an overlooked effect in the study of catalytic ozonation processes , volume =. Environ. Sci.: Water Res. Technol. , author =. 2017 , pages =. doi:10.1039/C7EW00273D , abstract =

    work page doi:10.1039/c7ew00273d 2017

  66. [66]

    ACS Catalysis , author =

    Selective. ACS Catalysis , author =. 2019 , pages =. doi:10.1021/acscatal.8b05145 , abstract =

    work page doi:10.1021/acscatal.8b05145 2019

  67. [67]

    Organic Letters , author =

    Wolff. Organic Letters , author =. 2006 , pages =. doi:10.1021/ol052981w , language =

    work page doi:10.1021/ol052981w 2006

  68. [68]

    2014 , pages =

    Catalysis Today , author =. 2014 , pages =. doi:10.1016/j.cattod.2013.11.018 , language =

    work page doi:10.1016/j.cattod.2013.11.018 2014

  69. [69]

    Current Opinion in Chemical Engineering , author =

    Carbohydrate dehydration using porous catalysts , volume =. Current Opinion in Chemical Engineering , author =. 2012 , pages =. doi:10.1016/j.coche.2012.06.003 , language =

    work page doi:10.1016/j.coche.2012.06.003 2012

  70. [70]

    The Journal of Physical Chemistry C , author =

    Full. The Journal of Physical Chemistry C , author =. 2011 , pages =. doi:10.1021/jp201671s , abstract =

    work page doi:10.1021/jp201671s 2011

  71. [71]

    Desilication: on the controlled generation of mesoporosity in. J. Mater. Chem. , author =. 2006 , pages =. doi:10.1039/B517510K , language =

    work page doi:10.1039/b517510k 2006

  72. [72]

    Materials Chemistry and Physics , author =

    Preparation of organic-functionalized mesoporous. Materials Chemistry and Physics , author =. 2011 , pages =. doi:10.1016/j.matchemphys.2011.02.003 , abstract =

    work page doi:10.1016/j.matchemphys.2011.02.003 2011

  73. [73]

    Journal of Catalysis , author =

    Interdependence between porosity, acidity, and catalytic performance in hierarchical. Journal of Catalysis , author =. 2013 , pages =. doi:10.1016/j.jcat.2013.08.020 , abstract =

    work page doi:10.1016/j.jcat.2013.08.020 2013

  74. [74]

    Advanced Functional Materials , author =

    Hierarchically. Advanced Functional Materials , author =. 2012 , pages =. doi:10.1002/adfm.201103120 , language =

    work page doi:10.1002/adfm.201103120 2012

  75. [75]

    Crystal Growth & Design , author =

    Hierarchical. Crystal Growth & Design , author =. 2013 , pages =. doi:10.1021/cg4010483 , abstract =

    work page doi:10.1021/cg4010483 2013

  76. [76]

    Advanced Functional Materials , author =

    Hierarchical. Advanced Functional Materials , author =. 2013 , pages =. doi:10.1002/adfm.201202320 , language =

    work page doi:10.1002/adfm.201202320 2013

  77. [77]

    Journal of Non-Crystalline Solids , author =

    Hydrolysis and condensation of silicates:. Journal of Non-Crystalline Solids , author =. 1988 , pages =. doi:10.1016/0022-3093(88)90005-1 , language =

    work page doi:10.1016/0022-3093(88)90005-1 1988

  78. [78]

    Nano Today , author =

    Templating route for synthesizing mesoporous zeolites with improved catalytic properties , volume =. Nano Today , author =. 2009 , pages =. doi:10.1016/j.nantod.2009.06.002 , abstract =

    work page doi:10.1016/j.nantod.2009.06.002 2009

  79. [79]

    Synthesis and characterization of nanocrystalline and mesoporous zeolites , url =

    Petushkov, Anton , month = may, year =. Synthesis and characterization of nanocrystalline and mesoporous zeolites , url =. doi:10.17077/etd.exwgzpaa , abstract =

    work page doi:10.17077/etd.exwgzpaa

  80. [80]

    Synergy between. Catal. Sci. Technol. , author =. 2014 , pages =. doi:10.1039/C4CY00186A , language =

    work page doi:10.1039/c4cy00186a 2014

Showing first 80 references.