First principles modeling of complex perovskites for energy applications

被引：0
|
作者：
Kukla, Maija [1 ]
Kotomin, Eugene A. [2 ]
Fuks, David [4 ]
Mastrikov, Yu A. [3 ]
Sharia, Onise [1 ]
Merkle, Rotraut [2 ]
Maier, Joachim [2 ]
机构：
[1] Univ Maryland, Mat Sci & Engn Dept, College Pk, MD 20742 USA
[2] Max Planck Inst Solid State Res, Stuttgart, Germany
[3] Latvian State Univ, Inst Solid State Phys, LV-1063 Riga, Latvia
[4] Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2013年 / 246卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
419-COLL
引用
收藏
页数：1
相关论文
共 50 条
  • [1] First-Principles Modeling of Lead-Free Perovskites for Photovoltaic Applications
    Liu, Diwen
    Li, Qiaohong
    Jing, Huijuan
    Wu, Kechen
    JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 123 (06): : 3795 - 3800
  • [2] First-Principles Modeling of Mixed Halide Organometal Perovskites for Photovoltaic Applications
    Mosconi, Edoardo
    Amat, Anna
    Nazeeruddin, Md. K.
    Graetzel, Michael
    De Angelis, Filippo
    JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 117 (27): : 13902 - 13913
  • [3] First-principles Modeling of Materials for Nuclear Energy Applications
    Dmitriev, Andrey I.
    Ponomareva, Alena V.
    Nikonov, Anton Yu.
    Abrikosov, Igor A.
    Barannikova, Svetlana A.
    INTERNATIONAL CONFERENCE ON PHYSICAL MESOMECHANICS OF MULTILEVEL SYSTEMS 2014, 2014, 1623 : 131 - 134
  • [4] First principles investigations of chalcogenides perovskites for optoelectronic applications
    Naeem, Maha
    Muhammad, Nawaz
    Murtaza, G.
    Raza, Hafiz Hamid
    Ali, Hafiz Irfan
    JOURNAL OF MATERIALS RESEARCH, 2024, : 2872 - 2888
  • [5] Modeling of Ferroelectric Oxide Perovskites: From First to Second Principles
    Ghosez, Philippe
    Junquera, Javier
    ANNUAL REVIEW OF CONDENSED MATTER PHYSICS, 2022, 13 : 325 - 364
  • [6] First-principles thermodynamic modeling of lanthanum chromate perovskites
    Dalach, P.
    Ellis, D. E.
    van de Walle, A.
    PHYSICAL REVIEW B, 2012, 85 (01):
  • [7] Complex applications - A return to first principles
    Dack, S
    Cohen, B
    IIC-INTERNATIONAL REVIEW OF INDUSTRIAL PROPERTY AND COPYRIGHT LAW, 2001, 32 (05): : 485 - 504
  • [8] First-principles study on optoelectronic and transport properties of Al-based perovskites for energy applications
    Moharam, M.M.
    Asif, Sana Ullah
    Saleh, Ebraheem Abdu Musad
    Althomali, Raed H.
    Sabeen, Sabiha
    Nabil, Gehan M.
    Kassem, Asmaa F.
    Irfan, Muhammad
    Khan, Imran
    Optical and Quantum Electronics, 2024, 56 (12)
  • [9] First principles modeling of organic energy materials: Development of efficient methodologies, rationales, and applications
    Lambrecht, Daniel S.
    Werling, Keith A.
    Griffin, Maryanne
    Hutchison, Geoffrey R.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
  • [10] Grain boundaries in polycrystalline materials for energy applications: First principles modeling and electron microscopy
    Quirk, J.
    Rothmann, M.
    Li, W.
    Abou-Ras, D.
    McKenna, K. P.
    APPLIED PHYSICS REVIEWS, 2024, 11 (01)
12345