First principle calculation of perovskite type oxide LaMO3(M = Cr, Mn, Fe, Co, Ni, Cu): Correlation of electron density at the M-O bond with structure

被引：0
|
作者：
Omoto, Kazuki [1 ]
Yashima, Masatomo [1 ,2 ]
机构：
[1] Tokyo Inst Technol, Interdisciplinary Grad Sch Sci & Engn, Dept Mat Sci & Engn, Midori Ku, Yokohama, Kanagawa 2268502, Japan
[2] Tokyo Inst Technol, Dept Chem & Mat Sci, Yokohama, Kanagawa, Japan
来源：
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2011年 / 67卷
关键词：
first principles calculation; perovskite-type oxide; electron density; density functional theory (DFT);
D O I：
10.1107/S0108767311088593
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
MS34.P25
引用
收藏
页码：C453 / C453
页数：1
相关论文
共 50 条
  • [1] Electrochemical Properties of LaMO3(M=Cr, Mn, and Co) Perovskite Materials
    Zhao, Hongquan
    Zhu, Qiudong
    Ye, Xin
    Wang, Lei
    Dong, Songtao
    COATINGS, 2024, 14 (01)
  • [2] Enthalpies of formation of LaMO3 perovskites (M = Cr, Fe, Co, and Ni)
    Cheng, JH
    Navrotsky, A
    Zhou, XD
    Anderson, HU
    JOURNAL OF MATERIALS RESEARCH, 2005, 20 (01) : 191 - 200
  • [3] Enthalpies of formation of LaMO3 perovskites (M = Cr, Fe, Co, and Ni)
    Jihong Cheng
    Alexandra Navrotsky
    Xiao-Dong Zhou
    Harlan U. Anderson
    Journal of Materials Research, 2005, 20 : 191 - 200
  • [4] Heterogeneous Activation of Persulfate by LaMO3 (M=Co, Fe, Cu, Mn, Ni) Perovskite Catalysts for the Degradation of Organic Compounds
    Manos, Donatos
    Papadopoulou, Foteini
    Margellou, Antigoni
    Petrakis, Dimitrios
    Konstantinou, Ioannis
    CATALYSTS, 2022, 12 (02)
  • [5] Hexane total oxidation on LaMO3 (M = Mn, Co, Fe) perovskite-type oxides
    Spinicci, R
    Tofanari, A
    Faticanti, M
    Pettiti, I
    Porta, P
    JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 2001, 176 (1-2) : 247 - 252
  • [6] Electrochemical hydrogen storage in LaMO3 (M = Cr, Mn, Fe, Co, Ni) nano-perovskites
    Ostadebrahim, Maryam
    Moradlou, Omran
    JOURNAL OF ENERGY STORAGE, 2023, 72
  • [7] Sol-gel synthesis of LaMO3 (M = Cr, Mn, Fe, Co, Ni) nanocrystalline powders
    Chen, ZH
    Xing, XR
    Dai, J
    Huang, XW
    Li, HW
    JOURNAL OF RARE EARTHS, 2004, 22 : 55 - 57
  • [8] Magnetic exchange interactions in perovskite LaMnO3/LaMO3 (M = Ni, Co, Cr, Fe) superlattices
    Tanaka, H
    Okawa, N
    Kawai, T
    SOLID STATE COMMUNICATIONS, 1999, 110 (04) : 191 - 196
  • [9] Structural, Electronic and Mechanical Properties of Perovskite Oxides LaMO3 (M = Mn, Ni) Compounds in the High and Low Symmetric Phases by First Principle Calculation
    Bachir Bouiadjra, Oussama
    Merad, Ghouti
    Raulot, Jean-Marc
    Si Abdelkader, Hayet
    Esling, Claude
    THERMEC 2018: 10TH INTERNATIONAL CONFERENCE ON PROCESSING AND MANUFACTURING OF ADVANCED MATERIALS, 2018, 941 : 2300 - 2305
  • [10] Microwave preparation and sintering of industrially important perovskite oxides:: LaMO3 (M = Cr, Co, Ni)
    Panneerselvam, M
    Rao, KJ
    JOURNAL OF MATERIALS CHEMISTRY, 2003, 13 (03) : 596 - 601
12345