The nature of the aluminum-aluminum oxide interface: A nanoscale picture of the interfacial structure and energy-level alignment

被引：21
|
作者：
Kim, Eung-Gun [1 ,2 ,3 ]
Bredas, Jean-Luc [1 ,2 ,4 ]
机构：
[1] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA
[2] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA
[3] Dankook Univ, Dept Polymer Sci & Engn, Jukjeon 448701, Gyeonggi, South Korea
[4] King Abdulaziz Univ, Dept Chem, Jeddah 21589, Saudi Arabia
来源：
ORGANIC ELECTRONICS | 2013年 / 14卷 / 02期
基金：
美国国家科学基金会;
关键词：
Density functional theory; Aluminum; Aluminum oxide; Interface structure; Work function; Interfacial level alignment; ALPHA-AL2O3; 0001; SURFACE; WORK-FUNCTION; PHOTOEMISSION; SAPPHIRE; FILMS; ADSORPTION; GROWTH;
D O I：
10.1016/j.orgel.2012.11.028
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We propose a new structural model for the Al(111)/Al2O3(0001) interface based on density functional theory calculations. The ultrathin interface structure is shown to consist of two Al layers, one that is oxide-like and the other metal-like. Our model interface reproduces the barrier height to the oxide conduction band edge and predicts the oxide overlayer to lower the metal work function by 0.49 eV. (C) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：569 / 574
页数：6
相关论文
共 26 条
  • [21] Influence of the nature of the anchoring group on the interfacial energy level alignment in dye-sensitized solar cells: A theoretical perspective
    Arbouch, Imane
    Karzazi, Yasser
    Cornil, Jerome
    PHYSICAL REVIEW MATERIALS, 2020, 4 (11)
  • [22] Interface Energy-Level Management toward Efficient Tin Perovskite Solar Cells with Hole-Transport-Layer-Free Structure
    Liu, Xiao
    Wu, Tianhao
    Zhang, Caiyi
    Zhang, Yiqiang
    Segawa, Hiroshi
    Han, Liyuan
    ADVANCED FUNCTIONAL MATERIALS, 2021, 31 (50)
  • [23] The interplay between interface structure, energy level alignment and chemical bonding strength at organic-metal interfaces
    Willenbockel, M.
    Lueftner, D.
    Stadtmueller, B.
    Koller, G.
    Kumpf, C.
    Soubatch, S.
    Puschnig, P.
    Ramsey, M. G.
    Tautz, F. S.
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (03) : 1530 - 1548
  • [24] Achieving high thermal conductivity and strong bending strength diamond/aluminum composite via nanoscale multi-interface phase structure engineering
    Zhu, Ping
    Zhang, Qiang
    Xia, Yixiao
    Ma, Yifu
    Gou, Huasong
    Liang, Xue
    Wu, Gaohui
    MATERIALS TODAY PHYSICS, 2024, 48
  • [25] Transport Energy Level Alignment at the PTCDA/Phosphorene Interface: How Does the Interlayer Coulomb Interaction Affect its Electronic Structure?
    Pang, Yu
    Wu, Meng
    Zhang, Jianglong
    Yi, Zhijun
    JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 125 (05): : 3027 - 3035
  • [26] Structure and energy level alignment at the dye-electrode interface in p-type DSSCs: new hints on the role of anchoring modes from ab initio calculations
    Munoz-Garcia, Ana B.
    Pavone, Michele
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (18) : 12238 - 12246
123