Electronic structure of small copper oxide clusters: From Cu2O to Cu2O4

被引：127
|
作者：
Wang, LS
Wu, HB
Desai, SR
Lou, L
机构：
[1] PACIFIC NW LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA
[2] RICE UNIV, RICE QUANTUM INST, HOUSTON, TX 77251 USA
[3] RICE UNIV, DEPT CHEM, HOUSTON, TX 77251 USA
[4] RICE UNIV, DEPT PHYS, HOUSTON, TX 77251 USA
来源：
PHYSICAL REVIEW B | 1996年 / 53卷 / 12期
关键词：
D O I：
10.1103/PhysRevB.53.8028
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We study the electronic structure of copper oxide clusters, Cu2Ox (x=1-4), using anion photoelectron spectroscopy and density-functional calculations. The experiment is used to successfully guide a computational search for the cluster geometries. The predicted electron affinities at the obtained cluster structures reproduce exactly the trend observed experimentally. The definitive determination of the cluster structures enables a detailed analysis of the chemical bonding and electronic structure involving Cu atoms in different oxidation states exhibited by these clusters.
引用
收藏
页码：8028 / 8031
页数：4
相关论文
共 50 条
  • [21] Effect on electronic, optical and transport properties of Cu2O and Au doped Cu2O: A DFT investigation
    Kumar, Anil
    Umapathy, G. R.
    Singh, Deobrat
    Harish, V.
    Rajprakash, H. G.
    ADVANCES IN BASIC SCIENCES (ICABS 2019), 2019, 2142
  • [22] A comparison of the reaction of S2 with metallic copper, Cu2O and Cu/ZnO:: electronic properties and reactivity of copper
    Rodriguez, JA
    Chaturvedi, S
    Kuhn, M
    SURFACE SCIENCE, 1998, 415 (03) : L1065 - L1073
  • [23] Atomic structure of Cu2O(111)
    Oensten, Anneli
    Goethelid, Mats
    Karlsson, Ulf O.
    SURFACE SCIENCE, 2009, 603 (02) : 257 - 264
  • [24] The Surface Structure of Cu2O(100)
    Soldemo, Markus
    Stenlid, Joakim Halldin
    Besharat, Zahra
    Yazdi, Milad Ghadami
    Onsten, Anneli
    Leygraf, Christofer
    Gothelid, Mats
    Brinck, Tore
    Weissenrieder, Jonas
    JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (08): : 4373 - 4381
  • [25] ENERGY OF COPPER OXYGEN BONDS IN COPPER OXIDES CU2O, CUO, AND (CU2O3)
    REZNITSKII, LA
    INORGANIC MATERIALS, 1992, 28 (02) : 327 - 328
  • [26] Photodriven CO dimerization on Cu2O from an electronic-structure perspective
    Hedstrom, Svante
    Stenlid, Joakim Halldin
    Liu, Chang
    Pettersson, Lars G. M.
    SUSTAINABLE ENERGY & FUELS, 2020, 4 (02) : 670 - 677
  • [27] On the crystal structure of nanocrystalline Cu2O
    Scardi, P
    Leoni, M
    MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2005, 393 (1-2): : 396 - 397
  • [28] Fine structure of excitons in Cu2O
    Kavoulakis, GM
    Chang, YC
    Baym, G
    PHYSICAL REVIEW B, 1997, 55 (12): : 7593 - 7599
  • [29] The effect of humidity on electronic conductivity of an Au/CuO/Cu2O/Cu sandwich structure
    Serin, N
    Serin, T
    Ünal, B
    SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2000, 15 (02) : 112 - 116
  • [30] DETECTION OF COPPER PRECIPITATES IN CU2O BY NMR
    HUGHES, DG
    MOHANTY, S
    PANDEY, L
    WEICHMAN, FL
    CANADIAN JOURNAL OF PHYSICS, 1985, 63 (03) : 397 - 401
12345