Predicting two-dimensional semiconductors using conductivity effective mass

Physical Chemistry Chemical Physics

2024

High-throughput identification of materials for silicon tandem solar cells

Sustainable Energy & Fuels

2023

Anomalous ferroelectricity and double-negative effects in bilayer hexagonal boron nitride

Physical Review B

2022

Hydride Ion Intercalation and Conduction in the Electride Sr3CrN3

Journal of Materials Chemistry C

2022

Ultralow Work Function of the Electride Sr3CrN3

Physical Chemistry Chemical Physics

2022

High-Temperature Quantum Anomalous Hall Effect in Electride Gadolinium Monohalides

Journal of Materials Chemistry C

2021

Huge Piezoelectric Response of LaN-based Superlattices

ACS Applied Materials & Interfaces

2020

Data-mining element charges in inorganic materials

Journal of Physical Chemistry Letters

2020

Sn 5s² lone pairs and the electronic structure of tin sulphides: A photoreflectance, high-energy photoemission, and theoretical investigation

Physical Review Materials

2020

Electrides: a review

Journal of Materials Chemistry C

2020

Manipulation of the Rashba effect in layered tellurides MTe (M = Ge, Sn, Pb)

Journal of Materials Chemistry C

2020

Sr3CrN3: a new electride with a partially filled d-shell transition metal

JACS

2019

Thermodynamics, electronic structure and vibrational properties of Snn(S1-xSex)m solid solutions for energy applications

Chemistry of Materials

2019

High-throughput identification of electrides from all known inorganic materials

Chemistry of Materials

2018

Chemical and lattice stability of the tin sulfides

Journal of Physical Chemistry C

2017

Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor

APL Materials

2017

Lattice dynamics of the tin sulphides SnS2, SnS and Sn2S3: vibrational spectra and thermal transport

Physical Chemistry Chemical Physics

2017

DFT investigation into the underperformance of sulfide materials in photovoltaic applications

Journal of Materials Chemistry A

2017

Anharmonicity in the high-temperature cmcm phase of SnSe: soft modes and three-phonon interactions

Physical Review Letters

2016

Electronic structure and defect physics of tin sulfides: SnS, Sn2S3, and SnS2

Physical Review Applied

2016

Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis

Nature Communications

2016

Band alignments, valence bands, and core levels in the tin sulfides SnS, SnS2, and Sn2S3: Experiment and Theory

Chemistry of Materials

2016

Electronic and optical properties of single crystal SnS2: an earth-abundant disulfide photocatalyst

Journal of Materials Chemistry A

2016

Assessment of polyanion (BF⁴⁻ and PF⁶⁻ ) substitutions in hybrid halide perovskites

Journal of Materials Chemistry A

2015

Ellipsometric characterization and density-functional theory analysis of anisotropic optical properties of single-crystal α-SnS

Journal of Applied Physics

2014

From kesterite to stannite photovoltaics: stability and band gaps of the Cu2(Zn,Fe)SnS4 alloy

Applied Physics Letters

2014

Synthesis, characterization, and electronic structure of single-crystal SnS, Sn2S3, and SnS2

Chemistry of Materials

2013

Band alignment in SnS thin-film solar cells: Possible origin of the low conversion efficiency

Applied Physics Letters

2013

Phase stability of the earth-abundant tin sulfides SnS, SnS2, and Sn2S3

Journal of Physical Chemistry C

2012

A photoactive titanate with a stereochemically active Sn lone pair: electronic and crystal structure of Sn2TiO4 from computational chemistry

Journal of Solid State Chemistry

2012