most citedFirst Principles Investigation of Polymorphism in Halide Perovskites

4 citations · 6 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2026

From Amorphous to Amorphous-Crystalline Mixed-Phase Boron Nitride: Evolution of the Thermal and Elastic Properties

Jiaqi Yang, Thomas Souvignet, Onurcan Kaya +11

Amorphous boron nitride (aBN) is a promising dielectric and protective coating, yet its nanoscale heat dissipation and elastic response remain poorly quantified. Here we synthesize…

cond-mat.mtrl-sci2023

Square Moiré Superlattices in Twisted Two-Dimensional Halide Perovskites

Shuchen Zhang, Linrui Jin, Yuan Lu +21

Moiré superlattices have emerged as a new platform for studying strongly correlated quantum phenomena, but these systems have been largely limited to van der Waals layer two-dimens…

cond-mat.mtrl-sci2023★ 1 cited

Discovering Novel Halide Perovskite Alloys using Multi-Fidelity Machine Learning and Genetic Algorithm

Jiaqi Yang, Panayotis Manganaris, Arun Mannodi-Kanakkithodi

Expanding the pool of stable halide perovskites with attractive optoelectronic properties is crucial to addressing current limitations in their performance as photovoltaic (PV) abs…

cond-mat.mtrl-sci2023★ 4 cited

First Principles Investigation of Polymorphism in Halide Perovskites

Jiaqi Yang, Arun Mannodi-Kanakkithodi

Halide perovskites have been extensively studied as materials of interest for optoelectronic applications. There is a major emphasis on ways to tailor the stability, defect behavio…

cond-mat.mtrl-sci2023★ 1 cited

A High-Throughput Computational Dataset of Halide Perovskite Alloys

Jiaqi Yang, Panayotis Manganaris, Arun Mannodi-Kanakkithodi

Novel halide perovskites with improved stability and optoelectronic properties can be designed via composition engineering at cation and/or anion sites. Data-driven methods, especi…