Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn2SbS2I3

Cation disorder engineering yields AgBiS2 nanocrystals with enhanced optical absorption for efficient ultrathin solar cells

(2022) Yongjie Wang et al.   Nature Photonics

Bandgap analysis and carrier localization in cation-disordered ZnGeN2

(2022) Jacob J. Cordell et al.   APL Materials

Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination

(2022) Yi-Teng Huang et al.   Nature Communications

Pb2BiS2I3 Nanowires for Use in Photodetectors

(2022) Chi Yang et al.   ACS Applied Nano Materials

Pseudo-halide anion engineering for α-FAPbI3 perovskite solar cells

(2021) Jaeki Jeong et al.   NATURE

Rapid Recombination by Cadmium Vacancies in CdTe

(2021) Seán R. Kavanagh et al.   ACS Energy Letters

Emerging Chalcogenide Thin Films for Solar Energy Harvesting Devices

(2021) Shreyash Hadke et al.   CHEMICAL REVIEWS

Chalcogenide Perovskites: Tantalizing Prospects, Challenging Materials

(2021) Kostiantyn V. Sopiha et al.   Advanced Optical Materials

Metal Chalcohalides: Next Generation Photovoltaic Materials?

(2021) Francisco Palazon   Solar RRL

In Situ Growth of [hk1]‐Oriented Sb 2 S 3 for Solution‐Processed Planar Heterojunction Solar Cell with 6.4% Efficiency

(2020) Xin Jin et al.   ADVANCED FUNCTIONAL MATERIALS

Perovskite-inspired materials for photovoltaics and beyond—from design to devices

(2020) Yi-Teng Huang et al.   NANOTECHNOLOGY

Wannier90 as a community code: new features and applications

(2019) Giovanni Pizzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells

(2018) Bartomeu Monserrat et al.   APPLIED PHYSICS LETTERS

Nanostructured Heterojunction Solar Cells Based on Pb2SbS2I3: Linking Lead Halide Perovskites and Metal Chalcogenides

(2018) Riming Nie et al.   ACS Energy Letters

Silver Bismuth Sulfoiodide Solar Cells: Tuning Optoelectronic Properties by Sulfide Modification for Enhanced Photovoltaic Performance

(2018) Narendra Pai et al.   Advanced Energy Materials

Band Structure Engineering of Cs2AgBiBr6 Perovskite through Order–Disordered Transition: A First-Principle Study

(2017) Jingxiu Yang et al.   Journal of Physical Chemistry Letters

Instilling defect tolerance in new compounds

(2017) Aron Walsh et al.   NATURE MATERIALS

Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials

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Monte Carlo simulations of disorder in ZnSnN2 and the effects on the electronic structure

(2017) Stephan Lany et al.   PHYSICAL REVIEW MATERIALS

Direct Gap Semiconductors Pb2BiS2I3, Sn2BiS2I3, and Sn2BiSI5

(2016) Saiful M. Islam et al.   CHEMISTRY OF MATERIALS

Ferroelectric materials for solar energy conversion: photoferroics revisited

(2015) Keith T. Butler et al.   Energy & Environmental Science

Thin-film Sb2Se3 photovoltaics with oriented one-dimensional ribbons and benign grain boundaries

(2015) Ying Zhou et al.   Nature Photonics

Band Gap Dependence on Cation Disorder in ZnSnN2 Solar Absorber

(2015) Tim D. Veal et al.   Advanced Energy Materials

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Cation disorder as the major electron scattering source in crystalline InGaZnO

(2013) Youngho Kang et al.   APPLIED PHYSICS LETTERS

Efficient stochastic generation of special quasirandom structures

(2013) A. van de Walle et al.   CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY

Bandgap engineering of ZnSnP2 for high-efficiency solar cells

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(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Generating derivative structures from multilattices: Algorithm and application to hcp alloys

(2009) Gus L. W. Hart et al.   PHYSICAL REVIEW B

VESTA: a three-dimensional visualization system for electronic and structural analysis

(2008) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Algorithm for generating derivative structures

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