Materials Design of Solar Cell Absorbers Beyond Perovskites and Conventional Semiconductors via Combining Tetrahedral and Octahedral Coordination

Bandgap Engineering of Stable Lead-Free Oxide Double Perovskites for Photovoltaics

(2018) Qingde Sun et al.   ADVANCED MATERIALS

Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH3NH3PbI3 *

(2018) Yue-Yu Zhang et al.   CHINESE PHYSICS LETTERS

Alternative Perovskites for Photovoltaics

(2018) AlexanderD. Jodlowski et al.   Advanced Energy Materials

Manipulation of cation combinations and configurations of halide double perovskites for solar cell absorbers

(2018) Peng Zhang et al.   Journal of Materials Chemistry A

Point defect engineering in thin-film solar cells

(2018) Ji Sang Park et al.   Nature Reviews Materials

Band structure engineering and defect control of oxides for energy applications

(2018) Hui-Xiong Deng et al.   Chinese Physics B

Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX3 and CsPbX3 (X = F, Cl, Br, I)

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

Parity-Forbidden Transitions and Their Impact on the Optical Absorption Properties of Lead-Free Metal Halide Perovskites and Double Perovskites

(2017) Weiwei Meng et al.   Journal of Physical Chemistry Letters

Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation

(2017) Xin-Gang Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Thermodynamic Stability Trend of Cubic Perovskites

(2017) Qingde Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Searching for promising new perovskite-based photovoltaic absorbers: the importance of electronic dimensionality

(2017) Zewen Xiao et al.   Materials Horizons

Lead-Free Perovskite Solar Cells

(2017) Prashant V. Kamat et al.   ACS Energy Letters

Cs2AgBiX6 (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors

(2016) Eric T. McClure et al.   CHEMISTRY OF MATERIALS

Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

(2016) George Volonakis et al.   Journal of Physical Chemistry Letters

High-efficiency two-dimensional Ruddlesden–Popper perovskite solar cells

(2016) Hsinhan Tsai et al.   NATURE

Can Pb-Free Halide Double Perovskites Support High-Efficiency Solar Cells?

(2016) Christopher N. Savory et al.   ACS Energy Letters

Toward Lead-Free Perovskite Solar Cells

(2016) Feliciano Giustino et al.   ACS Energy Letters

Bismuth Based Hybrid Perovskites A3Bi2I9(A: Methylammonium or Cesium) for Solar Cell Application

(2015) Byung-Wook Park et al.   ADVANCED MATERIALS

Thin-Film Preparation and Characterization of Cs3Sb2I9: A Lead-Free Layered Perovskite Semiconductor

(2015) Bayrammurad Saparov et al.   CHEMISTRY OF MATERIALS

Benefit of Grain Boundaries in Organic–Inorganic Halide Planar Perovskite Solar Cells

(2015) Jae S. Yun et al.   Journal of Physical Chemistry Letters

Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH3NH3PbI3

(2015) Fan Zheng et al.   NANO LETTERS

Big Data of Materials Science: Critical Role of the Descriptor

(2015) Luca M. Ghiringhelli et al.   PHYSICAL REVIEW LETTERS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Revealing the role of organic cations in hybrid halide perovskite CH3NH3PbI3

(2015) Carlo Motta et al.   Nature Communications

Origin of High Electronic Quality in Structurally Disordered CH3NH3PbI3and the Passivation Effect of Cl and O at Grain Boundaries

(2015) Wan-Jian Yin et al.   Advanced Electronic Materials

Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance

(2014) Wan-Jian Yin et al.   ADVANCED MATERIALS

Self-Regulation Mechanism for Charged Point Defects in Hybrid Halide Perovskites

(2014) Aron Walsh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Unusual defect physics in CH3NH3PbI3 perovskite solar cell absorber

(2014) Wan-Jian Yin et al.   APPLIED PHYSICS LETTERS

Termination Dependence of Tetragonal CH3NH3PbI3 Surfaces for Perovskite Solar Cells

(2014) Jun Haruyama et al.   Journal of Physical Chemistry Letters

The Role of Intrinsic Defects in Methylammonium Lead Iodide Perovskite

(2014) Jongseob Kim et al.   Journal of Physical Chemistry Letters

PredictiveGWcalculations using plane waves and pseudopotentials

(2014) Jiří Klimeš et al.   PHYSICAL REVIEW B

Classification of Lattice Defects in the Kesterite Cu2ZnSnS4and Cu2ZnSnSe4Earth-Abundant Solar Cell Absorbers

(2013) Shiyou Chen et al.   ADVANCED MATERIALS

The electronic properties of point defects in earth-abundant photovoltaic material Zn3P2: A hybrid functional method study

(2013) Wan-Jian Yin et al.   JOURNAL OF APPLIED PHYSICS

Electronic origin of the conductivity imbalance between covalent and ionic amorphous semiconductors

(2013) Hui-Xiong Deng et al.   PHYSICAL REVIEW B

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Increasing the Band Gap of Iron Pyrite by Alloying with Oxygen

(2012) Jun Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Identification of Potential Photovoltaic Absorbers Based on First-Principles Spectroscopic Screening of Materials

(2012) Liping Yu et al.   PHYSICAL REVIEW LETTERS

High ChalcociteCu2S: A Solid-Liquid Hybrid Phase

(2012) Lin-Wang Wang   PHYSICAL REVIEW LETTERS

Inverse Design of High Absorption Thin-Film Photovoltaic Materials

(2012) Liping Yu et al.   Advanced Energy Materials

Air Stable, Photosensitive, Phase Pure Iron Pyrite Nanocrystal Thin Films for Photovoltaic Application

(2011) Yu Bi et al.   NANO LETTERS

Diagrammatic Separation of Different Crystal Structures of A2BX4 Compounds Without Energy Minimization: A Pseudopotential Orbital Radii Approach

(2010) Xiuwen Zhang et al.   ADVANCED FUNCTIONAL MATERIALS

Grain boundaries in Cu(In, Ga)(Se, S)2 thin-film solar cells

(2008) Uwe Rau et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Effect of Copassivation of Cl and Cu on CdTe Grain Boundaries

(2008) Lixin Zhang et al.   PHYSICAL REVIEW LETTERS

Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory

(2008) P. Souvatzis et al.   PHYSICAL REVIEW LETTERS