Revealing the Potential Crystal Structures of Earth-Abundant Nontoxic Photovoltaic CuBiI4

Dynamic casting in combination with ramped annealing process for implementation of inverted planar Ag3BiI6 rudorffite solar cells

(2020) Yejin Seo et al.   JOURNAL OF POWER SOURCES

Structural, electronic, optical and mechanical properties of Zn- doped MAPbI3 perovskites and absorber layer efficiencies An ab-initio investigation

(2020) Rishikanta Mayengbam et al.   Materials Today Communications

Ab initio phase diagram of WSe based on crystal structure prediction

(2020) Cuan-Cuan Zhu et al.   COMPUTATIONAL MATERIALS SCIENCE

Improving Stability of Lead Halide Perovskite via PbF2 Layer Covering

(2020) Xiang Xiang Feng et al.   Journal of Physical Chemistry Letters

A review of photovoltaic performance of organic/inorganic solar cells for future renewable and sustainable energy technologies

(2020) J. Ajayan et al.   SUPERLATTICES AND MICROSTRUCTURES

Tuning Optical and Electronic Properties in Low-Toxicity Organic–Inorganic Hybrid (CH3NH3)3Bi2I9 under High Pressure

(2019) Long Zhang et al.   Journal of Physical Chemistry Letters

Electronic Structure and Optical Properties of Gallium-Doped Hybrid Organic–Inorganic Lead Perovskites from First-Principles Calculations and Spectroscopic Limited Maximum Efficiencies

(2019) Rishikanta Mayengbam et al.   Journal of Physical Chemistry C

Solution-proceed Air-stable Copper Bismuth Iodide CuBiI₄ for Photovoltaics

(2018) Zhaosheng Hu et al.   ChemSusChem

Stability of U5Si4 phase in U-Si system: Crystal structure prediction and phonon properties using first-principles calculations

(2018) D.A. Lopes et al.   JOURNAL OF NUCLEAR MATERIALS

An in-situ room temperature route to CuBiI4 based bulk-heterojunction perovskite-like solar cells

(2018) Busheng Zhang et al.   Science China-Materials

(C6H5C2H4NH3)2GeI4: A Layered Two-Dimensional Perovskite with Potential for Photovoltaic Applications

(2017) Pengfei Cheng et al.   Journal of Physical Chemistry Letters

Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells

(2016) Keith T. Butler et al.   APPLIED PHYSICS LETTERS

First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

(2016) N. Sarmadian et al.   JOURNAL OF APPLIED PHYSICS

Screening procedure for structurally and electronically matched contact layers for high-performance solar cells: hybrid perovskites

(2016) Keith T. Butler et al.   Journal of Materials Chemistry C

Electronic structure of organometal halide perovskite CH3NH3BiI3 and optical absorption extending to infrared region

(2016) H. X. Zhu et al.   Scientific Reports

Electronic structure and photovoltaic application of BiI3

(2015) Anna J. Lehner et al.   APPLIED PHYSICS LETTERS

Defect Tolerant Semiconductors for Solar Energy Conversion

(2014) Andriy Zakutayev et al.   Journal of Physical Chemistry Letters

Crystal electron binding energy and surface work function control of tin dioxide

(2014) Keith T. Butler et al.   PHYSICAL REVIEW B

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Evolutionary crystal structure prediction as a tool in materials design

(2008) Artem R Oganov et al.   JOURNAL OF PHYSICS-CONDENSED MATTER