3 papers
cond-mat.mtrl-sci2025
Towards High-Efficiency Solar Cells: Insights into AsNCa 3 Antiperovskite as Active Layer
M. Irfan, B. D. Aparicio-Huacarpuma, C. M. de Oliveira Bastos +7
Advances in photovoltaic technology are a viable route to contribute to cleaner and more sustainable energy solutions, placing perovskite-based materials among the best candidates…
physics.chem-ph2018
Thermodynamic Stability and Structural Insights for CHNHPbSiI, CHNHPbGeI, and CHNHPbSnI Hybrid Perovskite Alloys: A Statistical Approach from First Principles Calculations
Diego Guedes-Sobrinho, Ivan Guilhon, Marcelo Marques +1
The recent reaching of 20% of conversion efficiency by solar cells based on metal hybrid perovskites (MHP), e.g., the methylammonium (MA) lead iodide, CH3NH3PbI3 (MAPbI3), has exci…
cond-mat.mes-hall2018
(Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature
Diego Guedes-Sobrinho, Weiqi Wang, Ian Hamilton +2
Gold nanoclusters have been the focus of numerous computational studies but an atomistic understanding of their structural and dynamical properties at finite temperature is far fro…