Structure sensitivity of ammonia electro-oxidation on transition metal surfaces: A first-principles study (vol 397, pg 137, 2021)

被引：0
|
作者：
Elnabawy, Ahmed O. [1 ,2 ]
Herron, Jeffrey A. [1 ,2 ]
Karraker, Sara [1 ,2 ]
Mavrikakis, Manos [1 ,2 ]
机构：
[1] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA
[2] Cairo Univ, Fac Engn, Chem Engn Dept, Giza 12613, Egypt
来源：
JOURNAL OF CATALYSIS | 2023年 / 427卷
关键词：
D O I：
10.1016/j.jcat.2023.06.025
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页数：1
相关论文
共 50 条
  • [41] Two-dimensional MXene supported single transition metal atom for HCHO catalytic oxidation: A first-principles study combined with Microkinetics
    Zhao, Liming
    Zhang, Jian
    Liu, Jing
    Yang, Yingju
    MOLECULAR CATALYSIS, 2024, 564
  • [42] First-Principles Study of the Electronic Structure of Single-Crystalline InGaZnO4 (vol 56, pg 476, 2010)
    Kang, Il-Joon
    Park, Chul-Hong
    JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 2010, 57 (03) : 541 - 541
  • [43] First-Principles Study of Electronic Structure and Hydrogen Adsorption of 3d Transition Metal Exposed Paddle Wheel Frameworks
    Bak, Ji Hyun
    Le, Viet-Duc
    Kang, Joongoo
    Wei, Su-Huai
    Kim, Yong-Hyun
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (13): : 7386 - 7392
  • [44] First-principles study of mechanical and magnetic properties of transition metal (M) nitrides in the cubic M4N structure
    Adhikari, V.
    Liu, Z. T. Y.
    Szymanski, N. J.
    Khatri, I.
    Gall, D.
    Sarin, P.
    Khare, S. V.
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2018, 120 : 197 - 206
  • [45] How spin state and oxidation number of transition metal atoms determine molecular adsorption: a first-principles case study for NH3
    Tan, Hua-Jian
    Si, Rutong
    Li, Xi-Bo
    Tang, Zhen-Kun
    Wei, Xiao-Lin
    Seriani, Nicola
    Yin, Wen-Jin
    Gebauer, Ralph
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 26 (09) : 7688 - 7694
  • [46] First-principles study of the electronic structure of heavy fermion YbRh2Si2 (vol 18, pg 6289, 2006)
    Jeong, T.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2006, 18 (46) : 10529 - 10529
  • [47] First-Principles Study of the Charge Distributions in Water Confined between Dissimilar Surfaces and Implications in Regard to Contact Electrification (vol 121, pg 12345, 2017)
    Fu, Rui
    Shen, Xiaozhou
    Lacks, Daniel J.
    JOURNAL OF PHYSICAL CHEMISTRY C, 2017, 121 (31): : 17043 - 17043
  • [48] Oxidation mechanism and mechanical properties of substitutional transition metal modified Nb4AlC3: A first-principles density functional theory study
    Liu, Guotan
    Li, Zifeng
    Gao, Weihong
    Zhao, Danni
    Sun, Bin
    Su, Wenlong
    Yan, Mufu
    Fu, Yu-dong
    CERAMICS INTERNATIONAL, 2023, 49 (17) : 29141 - 29154
  • [49] A first-principles based microkinetic study of ZnMn1.5TM0.5O4 (TM=3d transition metal) for NO oxidation
    Wang, Qingbo
    Yang, Jiaqiang
    Liu, Zhang
    Wen, Yanwei
    Chen, Rong
    Shan, Bin
    APPLIED SURFACE SCIENCE, 2022, 600
  • [50] First-principles study of magnetic properties and electronic structure of 3d transition-metal atom-adsorbed SnSSe monolayers
    Xu, Bin
    Qian, Cheng
    Wang, Zheng
    Zhang, Jing
    Ma, Shanshan
    Wang, Yusheng
    Yi, Lin
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2024, 26 (05) : 4231 - 4239
12345