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pith:FRRFSZOH

pith:2025:FRRFSZOHCMKANHYMAVBMGBZASK
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Re-refinement of the structure of the planar hexagonal phase of ZnO nanocrystals

Jeffrey R. Reimers, Lingyao Zhang, Musen Li, Wei Ren

Re-refining the original diffraction data revises the lattice parameters of the planar hexagonal ZnO phase to match computational predictions.

arxiv:2511.09912 v2 · 2025-11-13 · cond-mat.mtrl-sci

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Record completeness

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3 Author claim open · sign in to claim
4 Citations open
5 Replications open
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Claims

C1strongest claim

The re-refined P63/mmc structure has lattice parameters a = 3.45±0.02 Å and c = 4.46±0.02 Å at room temperature, 0.35 Å and 0.80 Å larger than previously reported and in good agreement with computational predictions.

C2weakest assumption

That the phase-shift determination combined with Morlet wavelet transformation applied to the original (unspecified) diffraction data uniquely identifies the P63/mmc structure without introducing artifacts or requiring additional constraints.

C3one line summary

Re-refinement of h-ZnO nanocrystal data using phase-shift and Morlet wavelet methods gives room-temperature lattice parameters a = 3.45 ± 0.02 Å and c = 4.46 ± 0.02 Å, larger than prior reports and matching first-principles calculations.

References

37 extracted · 37 resolved · 0 Pith anchors

[1] C. Lizandara Pueyo, S. Siroky, S. Landsmann, M. W . E. van den Berg, M. R. Wagner, J. S. Reparaz, A. Hoffmann, and S. Polarz, Molecular Precursor Route to a Metastable Form of Zinc Oxide, Chem. Mat., 2010
[2] D. Zagorac, J. C. Schön, and M. Jansen, Energy Landscape Investigations Using the Prescribed Path Method in the ZnO System, J. Phys. Chem. C, 116, 16726 (2012). 8 2012
[3] M. Schreyer, L. Guo, S. Thirunahari, F. Gao, and M. Garland, Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X -ray diffraction, band- target e 2014
[4] A. J. Kulkarni, M. Zhou, and F. J. Ke, Orientation and size dependence of the elastic properties of zinc oxide nanobelts, Nanotechnology, 16, 2749 (2005) 2005
[5] A. J. Kulkarni, M. Zhou, K. Sarasamak, and S. Limpijumnong, Novel Phase Transformation in ZnO Nanowires under Tensile Loading, Phys. Rev. Lett., 97, 105502 (2006) 2006

Formal links

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Receipt and verification
First computed 2026-06-04T01:08:35.973674Z
Builder pith-number-builder-2026-05-17-v1
Signature Pith Ed25519 (pith-v1-2026-05) · public key
Schema pith-number/v1.0

Canonical hash

2c625965c71314069f0c0542c3072092a5d3a7f0422d0791d4001aa412da73d3

Aliases

arxiv: 2511.09912 · arxiv_version: 2511.09912v2 · doi: 10.48550/arxiv.2511.09912 · pith_short_12: FRRFSZOHCMKA · pith_short_16: FRRFSZOHCMKANHYM · pith_short_8: FRRFSZOH
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Verify this Pith Number yourself
curl -sH 'Accept: application/ld+json' https://pith.science/pith/FRRFSZOHCMKANHYMAVBMGBZASK \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 2c625965c71314069f0c0542c3072092a5d3a7f0422d0791d4001aa412da73d3
Canonical record JSON
{
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    "abstract_canon_sha256": "9832f11182d30c66e727788faaa219d8340938ea46e27b505b6da165a7f38506",
    "cross_cats_sorted": [],
    "license": "http://creativecommons.org/licenses/by/4.0/",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2025-11-13T03:19:18Z",
    "title_canon_sha256": "b33fa04b0e2fc6b2e0e7a0c3a9899b11b4cdc9e6222ec2505c4863d66c5e838a"
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    "kind": "arxiv",
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}