Ab initio study of atomic hydrogen on ZnO surfaces

被引：0
|
作者：
Graduate Institute of Precision Engineering, National Chung Hsing University, Taichung, 402, Taiwan [1 ]
机构：
来源：
Appl. Phys. Express | / 12卷
关键词：
Compilation and indexing terms; Copyright 2025 Elsevier Inc;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Gas adsorption - Hydrogen - Density functional theory - Atoms - II-VI semiconductors
引用
收藏
相关论文
共 50 条
  • [31] Ab-initio calculations of the electronic and atomic structure of solids and their surfaces
    Acad of Sciences of the Czech, Republic, Praha, Czech Republic
    Comput Phys Commun, 1-2 (111-123):
  • [32] Ab-initio calculations of the electronic and atomic structure of solids and their surfaces
    Drchal, V
    Kudrnovsky, J
    Turek, I
    COMPUTER PHYSICS COMMUNICATIONS, 1996, 97 (1-2) : 111 - 123
  • [33] An ab initio study of hydrogen adsorption on ZnO(10(1)over-bar0)
    Wander, A
    Harrison, NM
    JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (26): : 6191 - 6193
  • [34] Ab initio molecular orbital study of adsorption of atomic hydrogen on graphite: Insight into hydrogen storage in carbon nanotubes
    Yang, FH
    Yang, RT
    CARBON, 2002, 40 (03) : 437 - 444
  • [35] Ab initio study of hydrogen in titanium beryllides
    Bachurin, D. V.
    Stihl, C.
    Vladimirov, P. V.
    COMPUTATIONAL MATERIALS SCIENCE, 2024, 231
  • [36] Reduction of uranyl by hydrogen: an ab initio study
    Vallet, V
    Schimmelpfennig, B
    Maron, L
    Teichteil, C
    Leininger, T
    Gropen, O
    Grenthe, I
    Wahlgren, U
    CHEMICAL PHYSICS, 1999, 244 (2-3) : 185 - 193
  • [37] An ab initio study of platinum hydrogen interaction
    Pacheco, J. H.
    Bravo, A.
    Novaro, O.
    REVISTA MEXICANA DE FISICA, 2006, 52 (05) : 394 - 397
  • [38] Ab initio study of hydrogen abstraction reactions
    Basch, H
    Hoz, S
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (24): : 4416 - 4431
  • [39] Ab initio comparative study of zincblende and wurtzite ZnO
    State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China
    Chin. Phys. Lett., 2007, 4 (1032-1034):
  • [40] Superconductivity in an expanded phase of ZnO: an ab initio study
    Hapiuk, D.
    Marques, M. A. L.
    Melinon, P.
    Botti, S.
    Masenelli, B.
    Flores-Livas, J. A.
    NEW JOURNAL OF PHYSICS, 2015, 17
12345