Chemical Physics · Physics
Thermodynamic Stability and Structural Insights for CH$_3$NH$_3$Pb$_{1-x}$Si$_x$I$_3$, CH$_3$NH$_3$Pb$_{1-x}$Ge$_x$I$_3$, and CH$_3$NH$_3$Pb$_{1-x}$Sn$_x$I$_3$ Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations
Diego Guedes-Sobrinho, Ivan Guilhon, Marcelo Marques, Lara K. Teles
2018-12-14
Materials Science · Physics
A First-principles study on ABBr3 (A = Cs, Rb, K, Na; B = Ge, Sn) halide perovskites for photovoltaic applications
Dibyajyoti Saikia, Mahfooz Alam, Jayanta Bera, Atanu Betal +2
2022-05-04
Materials Science · Physics
First-principles calculation of bulk photovoltaic effect in CH$_3$NH$_3$PbI$_3$ and CH$_3$NH$_3$PbI$_{3-x}$Cl$_{x}$
Fan Zheng, Hiroyuki Takenaka, Fenggong Wang, Nathan Z. Koocher +1
2014-10-14
Materials Science · Physics
Thermodynamics of Sodium-Lead Alloys for Negative Electrodes from First-Principles
Damien K. J. Lee, Zeyu Deng, Gopalakrishnan Sai Gautam, Pieremanuele Canepa
2024-05-28
Materials Science · Physics
First-principles analysis of the optical properties of lead halide perovskite solution precursors
Giovanni Procida, Richard Schier, Ana M. Valencia, Caterina Cocchi
2021-10-01
Materials Science · Physics
First principle studies on the optoelectronic properties of rubidium lead halides
Anupriya Nyayban, Subhasis Panda, Avijit Chowdhury, B. Indrajit Sharma
2019-09-26
Applied Physics · Physics
Defect Physics of Pseudo-cubic Mixed Halide Lead Perovskites from First Principles
Arun Mannodi-Kanakkithodi, Ji-Sang Park, Alex B. F. Martinson, Maria K. Y. Chan
2019-08-16
Materials Science · Physics
Why Do Eight Units of Methylammonium Enclose PbI6 Octahedron in Large-Scale Crystals of Methylammonium Lead Iodide Perovskite Solar Cell? An Answer from First-Principles Study
Pradeep R. Varadwaj, Arpita Varadwaj, Koichi Yamashita
2017-04-20
Materials Science · Physics
First-Principles Studies of Second-Order Nonlinear Optical Properties of Organic-Inorganic Hybrid Halide Perovskites
Wenshen Song, Guang-Yu Guo, Su Huang, Lan Yang +1
2020-02-14
Materials Science · Physics
Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation
Xin-Gang Zhao, Ji-Hui Yang, Yuhao Fu, Dongwen Yang +4
2017-05-30
Materials Science · Physics
Metal halide perovskite toxicity effects on plants are caused by iodide ions
Eline M. Hutter, Reiny Sangster, Christa Testerink, Bruno Ehrler +1
2020-12-14
Chemical Physics · Physics
Off-center impurity in alkali halides: reorientation, electric polarization and pairing to F center. III. Numerical calculations
G. Baldacchini, R. M. Montereali, U. M. Grassano, A. Scacco +4
2007-10-12
Materials Science · Physics
First-principles study on the chemical decomposition of inorganic perovskites \ce{CsPbI3} and \ce{RbPbI3} at finite temperature and pressure
Un-Gi Jong, Chol-Jun Yu, Yun-Hyok Kye, Chol-Ho Kim +2
2018-07-09
Chemical Physics · Physics
Why Lead Methylammonium tri-IODIDE perovskite-based solar cells requires a mesoporous electron transporting scaffold (but not necessarily a hole conductor)
Eran Edri, Saar Kirmayer, Alex Henning, Sabyasachi Mukhopadhyay +4
2015-06-18