Selection Metric for Photovoltaic Materials Screening Based on Detailed-Balance Analysis

Decreasing Radiative Recombination Coefficients via an Indirect Band Gap in Lead Halide Perovskites

(2017) Thomas Kirchartz et al.   Journal of Physical Chemistry Letters

Microscopic Perspective on Photovoltaic Reciprocity in Ultrathin Solar Cells

(2017) Urs Aeberhard et al.   PHYSICAL REVIEW LETTERS

Efficiency Potential of Photovoltaic Materials and Devices Unveiled by Detailed-Balance Analysis

(2017) Uwe Rau et al.   Physical Review Applied

Computational materials design of crystalline solids

(2016) Keith T. Butler et al.   CHEMICAL SOCIETY REVIEWS

Alloying and Defect Control within Chalcogenide Perovskites for Optimized Photovoltaic Application

(2016) Weiwei Meng et al.   CHEMISTRY OF MATERIALS

First-principles study of the optoelectronic properties and photovoltaic absorber layer efficiency of Cu-based chalcogenides

(2016) N. Sarmadian et al.   JOURNAL OF APPLIED PHYSICS

Effects of Thermochemical Treatment on CuSbS2 Photovoltaic Absorber Quality and Solar Cell Reproducibility

(2016) Francisco Willian de Souza Lucas et al.   Journal of Physical Chemistry C

Effects of heavy alkali elements in Cu(In,Ga)Se2solar cells with efficiencies up to 22.6%

(2016) Philip Jackson et al.   Physica Status Solidi-Rapid Research Letters

First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon

(2016) Marnik Bercx et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accelerated development of CuSbS2thin film photovoltaic device prototypes

(2016) Adam W. Welch et al.   PROGRESS IN PHOTOVOLTAICS

Contact Selectivity and Efficiency in Crystalline Silicon Photovoltaics

(2016) Rolf Brendel et al.   IEEE Journal of Photovoltaics

An assessment of silver copper sulfides for photovoltaic applications: theoretical and experimental insights

(2016) Christopher N. Savory et al.   Journal of Materials Chemistry A

Relativistic electronic structure and band alignment of BiSI and BiSeI: candidate photovoltaic materials

(2016) Alex M. Ganose et al.   Journal of Materials Chemistry A

Beyond Bulk Lifetimes: Insights into Lead Halide Perovskite Films from Time-Resolved Photoluminescence

(2016) Florian Staub et al.   Physical Review Applied

Impact of Photon Recycling on the Open-Circuit Voltage of Metal Halide Perovskite Solar Cells

(2016) Thomas Kirchartz et al.   ACS Energy Letters

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

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

CuSbSe2photovoltaic devices with 3% efficiency

(2015) Adam W. Welch et al.   Applied Physics Express

Crystal and Electronic Structures of Complex Bismuth Iodides A3Bi2I9 (A = K, Rb, Cs) Related to Perovskite: Aiding the Rational Design of Photovoltaics

(2015) Anna J. Lehner et al.   CHEMISTRY OF MATERIALS

Computational Screening of Homovalent Lead Substitution in Organic–Inorganic Halide Perovskites

(2015) Marina R. Filip et al.   Journal of Physical Chemistry C

Superior Photovoltaic Properties of Lead Halide Perovskites: Insights from First-Principles Theory

(2015) Wan-Jian Yin et al.   Journal of Physical Chemistry C

Assessment of Hybrid Organic–Inorganic Antimony Sulfides for Earth-Abundant Photovoltaic Applications

(2015) Ruo Xi Yang et al.   Journal of Physical Chemistry Letters

Semiconducting transition metal oxides

(2015) Stephan Lany   JOURNAL OF PHYSICS-CONDENSED MATTER

Data Mining and Machine Learning Tools for Combinatorial Material Science of All-Oxide Photovoltaic Cells

(2015) Abraham Yosipof et al.   Molecular Informatics

Open-Circuit Voltage Deficit, Radiative Sub-Bandgap States, and Prospects in Quantum Dot Solar Cells

(2015) Chia-Hao Marcus Chuang et al.   NANO LETTERS

Comparative study ofab initiononradiative recombination rate calculations under different formalisms

(2015) Lin Shi et al.   PHYSICAL REVIEW B

Theory of inelastic multiphonon scattering and carrier capture by defects in semiconductors: Application to capture cross sections

(2015) Georgios D. Barmparis et al.   PHYSICAL REVIEW B

Dipole-allowed direct band gap silicon superlattices

(2015) Young Jun Oh et al.   Scientific Reports

Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites

(2015) Riley E. Brandt et al.   MRS Communications

Quantifying Losses in Open-Circuit Voltage in Solution-Processable Solar Cells

(2015) Jizhong Yao et al.   Physical Review Applied

Unusual defect physics in CH3NH3PbI3 perovskite solar cell absorber

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

Organometallic Halide Perovskites: Sharp Optical Absorption Edge and Its Relation to Photovoltaic Performance

(2014) Stefaan De Wolf et al.   Journal of Physical Chemistry Letters

Computational search for direct band gap silicon crystals

(2014) In-Ho Lee et al.   PHYSICAL REVIEW B

First-principles theory of nonradiative carrier capture via multiphonon emission

(2014) Audrius Alkauskas et al.   PHYSICAL REVIEW B

Quantum-kinetic theory of steady-state photocurrent generation in thin films: Coherent versus incoherent coupling

(2014) U. Aeberhard   PHYSICAL REVIEW B

Thermodynamics of light management in photovoltaic devices

(2014) Uwe Rau et al.   PHYSICAL REVIEW B

Design Meets Nature: Tetrahedrite Solar Absorbers

(2014) Jaeseok Heo et al.   Advanced Energy Materials

Theoretical Photovoltaic Conversion Efficiencies of ZnSnP2, CdSnP2, and Zn1-xCdxSnP2Alloys

(2013) Tomoyasu Yokoyama et al.   Applied Physics Express

Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project

(2013) Johannes Hachmann et al.   Energy & Environmental Science

Optical enhancement of the open-circuit voltage in high quality GaAs solar cells

(2013) M. A. Steiner et al.   JOURNAL OF APPLIED PHYSICS

Theoretical Prediction and Experimental Realization of New Stable Inorganic Materials Using the Inverse Design Approach

(2013) Andriy Zakutayev et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Band-structure calculations for the 3dtransition metal oxides inGW

(2013) Stephan Lany   PHYSICAL REVIEW B

Device Characteristics of CZTSSe Thin-Film Solar Cells with 12.6% Efficiency

(2013) Wei Wang et al.   Advanced Energy Materials

Reassessment of the Limiting Efficiency for Crystalline Silicon Solar Cells

(2013) Armin Richter et al.   IEEE Journal of Photovoltaics

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

(2013) Anubhav Jain et al.   APL Materials

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

(2012) Liping Yu et al.   PHYSICAL REVIEW LETTERS

Pathways to a New Efficiency Regime for Organic Solar Cells

(2012) L. Jan Anton Koster et al.   Advanced Energy Materials

Inverse Design of High Absorption Thin-Film Photovoltaic Materials

(2012) Liping Yu et al.   Advanced Energy Materials

Strong Internal and External Luminescence as Solar Cells Approach the Shockley–Queisser Limit

(2012) Owen D. Miller et al.   IEEE Journal of Photovoltaics

Computational screening of perovskite metal oxides for optimal solar light capture

(2011) Ivano E. Castelli et al.   Energy & Environmental Science

Computational Design and Selection of Optimal Organic Photovoltaic Materials

(2011) Noel M. O’Boyle et al.   Journal of Physical Chemistry C

Radiative efficiency of state-of-the-art photovoltaic cells

(2011) Martin A. Green   PROGRESS IN PHOTOVOLTAICS

Estimating the Maximum Attainable Efficiency in Dye-Sensitized Solar Cells

(2009) Henry J. Snaith   ADVANCED FUNCTIONAL MATERIALS

Materials Availability Expands the Opportunity for Large-Scale Photovoltaics Deployment

(2009) Cyrus Wadia et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Efficiency Limits of Organic Bulk Heterojunction Solar Cells

(2009) Thomas Kirchartz et al.   Journal of Physical Chemistry C

On the origin of the open-circuit voltage of polymer–fullerene solar cells

(2009) Koen Vandewal et al.   NATURE MATERIALS

Detailed balance theory of excitonic and bulk heterojunction solar cells

(2008) Thomas Kirchartz et al.   PHYSICAL REVIEW B

Finite mobility effects on the radiative efficiency limit ofpn-junction solar cells

(2008) Julian Mattheis et al.   PHYSICAL REVIEW B