Advancement in CsPbBr3 inorganic perovskite solar cells: Fabrication, efficiency and stability

N Kumar, J Rani, R Kurchania - Solar Energy, 2021 - Elsevier
Hybrid perovskite solar cells (PSCs) are in existence in the field of photovoltaic technology
since 2009 and they have achieved a major improvement in power conversion efficiency …

Density functional theory estimate of halide perovskite band gap: When spin orbit coupling helps

T Das, G Di Liberto, G Pacchioni - The Journal of Physical …, 2022 - ACS Publications
The description of the band gap of halide perovskites at the level of density functional theory
(DFT) has been subject of several studies but still presents significant problems and …

Density Functional Study of Cubic, Tetragonal, and Orthorhombic CsPbBr3 Perovskite

HM Ghaithan, ZA Alahmed, SMH Qaid, M Hezam… - ACS …, 2020 - ACS Publications
Cesium lead bromide (CsPbBr3) perovskite has recently gained significance owing to its
rapidly increasing performance when used for light-emitting devices. In this study, we used …

A critical assessment on calculating vibrational spectra in nanostructured materials

AEJ Hoffman, W Temmerman, E Campbell… - Journal of Chemical …, 2023 - ACS Publications
Vibrational spectroscopy is an omnipresent spectroscopic technique to characterize
functional nanostructured materials such as zeolites, metal–organic frameworks (MOFs) …

Electronic and optical properties of bulk and surface of CsPbBr3 inorganic halide perovskite a first principles DFT 1/2 approach

M Ezzeldien, S Al-Qaisi, ZA Alrowaili, M Alzaid… - Scientific Reports, 2021 - nature.com
This work aims to test the effectiveness of newly developed DFT-1/2 functional in calculating
the electronic and optical properties of inorganic lead halide perovskites CsPbBr3. Herein …

Kinetic Control for Continuously Tunable Lattice Parameters, Size, and Composition during CsPbX3 (X = Cl, Br, I) Nanorod Synthesis

JR Wen, FA Rodríguez Ortiz, A Champ, MT Sheldon - ACS nano, 2022 - ACS Publications
The fast kinetics of all-inorganic CsPbX3 (X= Cl, Br, or I) nanocrystal growth entail that many
synthetic strategies for structural control established in other semiconductor systems do not …

Do** induces structural phase transitions in all-inorganic lead halide perovskite nanocrystals

JP Ma, JK Chen, J Yin, BB Zhang, Q Zhao… - ACS Materials …, 2020 - ACS Publications
Do** engineering has emerged as one of the most powerful approaches to impart new
optical and electronic properties to halide perovskite nanocrystals (NCs). However, the …

Octahedral Distortions Generate a Thermally Activated Phonon-Assisted Radiative Recombination Pathway in Cubic CsPbBr3 Perovskite Quantum Dots

VL Cherrette, F Babbe, JK Cooper… - The Journal of Physical …, 2023 - ACS Publications
Exciton–phonon interactions elucidate structure–function relationships that aid in the control
of color purity and carrier diffusion, which is necessary for the performance-driven design of …

Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy

AEJ Hoffman, RA Saha, S Borgmans, P Puech… - Apl Materials, 2023 - pubs.aip.org
Metal-halide perovskites (MHPs) exhibit excellent properties for application in optoelectronic
devices. The bottleneck for their incorporation is the lack of long-term stability such as …

Shining light on the structure of lead halide perovskite nanocrystals

JK Chen, Q Zhao, N Shirahata, J Yin… - ACS Materials …, 2021 - ACS Publications
Lead halide perovskite nanocrystals (NCs) have attracted great attention owing to the
simplicity of their synthesis and excellent defect-tolerance nature. They not only demonstrate …