A Density Functional Study of Fe-N2, Fe-N2+, and Fe-N2- Theory

被引:0
|
作者
Zacarias, A.
Torrens, H.
Castro, M.
机构
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [1] A density functional study of Fe-N-2, Fe-N-2(+) and Fe-N-2(-)
    Zacarias, A
    Torrens, H
    Castro, M
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 61 (03) : 467 - 473
  • [2] Density functional study of Fe-2-N-2
    Zacarias, A
    Castro, M
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1996, 60 (07) : 1419 - 1428
  • [3] Conversion of Fe-NH2 to Fe-N2 with release of NH3
    Anderson, John S.
    Moret, Marc-Etienne
    Peters, Jonas C.
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 135 (02) : 534 - 537
  • [4] Comparison of c(2 x 2) N/Fe(001) and Fe4N(002) surfaces:: a density-functional theory study
    Pick, Stepán
    Légaré, Pierre
    Demangeat, Claude
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (07)
  • [5] Precise synthesis of Fe-N2 with N vacancies coordination for boosting electrochemical artificial N2 fixation
    Qiu, Weibin
    Yang, Na
    Luo, Dan
    Wang, Jiayi
    Zheng, Lirong
    Zhu, Yuchen
    Akinoglu, Eser Metin
    Huang, Qianming
    Shui, Lingling
    Wang, Rongming
    Zhou, Guofu
    Wang, Xin
    Chen, Zhongwei
    APPLIED CATALYSIS B-ENVIRONMENTAL, 2021, 293
  • [6] Fe(N2)n (n=1-5):: Structure, bonding, and vibrations from density functional theory
    Duarte, HA
    Salahub, DR
    Haslett, T
    Moskovits, M
    INORGANIC CHEMISTRY, 1999, 38 (17) : 3895 - 3903
  • [7] An Fe-N2 Complex That Generates Hydrazine and Ammonia via Fe=NNH2: Demonstrating a Hybrid Distal-to-Alternating Pathway for N2 Reduction
    Rittle, Jonathan
    Peters, Jonas C.
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 138 (12) : 4243 - 4248
  • [8] Magnetic properties of Fe chains on Cu2N/Cu(100): A density functional theory study
    Nicklas, Jeremy W.
    Wadehra, Amita
    Wilkins, John W.
    JOURNAL OF APPLIED PHYSICS, 2011, 110 (12)
  • [9] Soft X-ray absorption spectroscopy of Fe-N2, Fe - (NH=NH), Fe - (NH2-NH2) complexes: Experiments and DFT calculations
    Fu, Juxia
    George, Simon J.
    Cramer, Stephen P.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [10] The crystal structure of Fe2P, Fe2N, Fe3N and FeB.
    Hendricks, SB
    Kosting, PR
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1930, 74 (5/6): : 511 - 533