Papers citing Instilling defect tolerance in new compounds
Noble gas as a functional dopant in ZnO
npj Computational Materials · 2019-03-28
Oleksandr I. Malyi, Kostiantyn V. Sopiha, Clas Persson
Read original paper ↗ ·The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study
Frontiers in Chemistry · 2019-04-10
Emiliano Poli, Joshua David Elliott, Sergey K. Chulkov, Matthew B. Watkins, Gilberto Teobaldi
Read original paper ↗ ·Photoluminescence Tuning Through Irradiation Defects in CH 3 NH 3 PbI 3 Perovskites
physica status solidi (b) · 2019-04-26
O. Plantevin, Stéphanie Valère, Driffa Guerfa, Ferdinand Lédée, Gaëlle Trippé-Allard, Damien Garrot, Emmanuelle Deleporte
Read original paper ↗ ·Transparent conducting materials discovery using high-throughput computing
npj Computational Materials · 2019-06-04
Guillaume Brunin, Francesco Ricci, Viet-Anh Ha, Gian‐Marco Rignanese, Geoffroy Hautier
Read original paper ↗ ·Self-compensation in chlorine-doped CdTe
Scientific Reports · 2019-06-24
Walter Orellana, Eduardo Menéndez‐Proupin, Mauricio A. Flores
Read original paper ↗ ·Switching on the Photocatalysis of Metal–Organic Frameworks by Engineering Structural Defects
Angewandte Chemie International Edition · 2019-07-08
Xing Ma, Li Wang, Qun Zhang, Hai‐Long Jiang
Read original paper ↗ ·Switching on the Photocatalysis of Metal–Organic Frameworks by Engineering Structural Defects
Angewandte Chemie · 2019-07-08
Xing Ma, Li Wang, Qun Zhang, Hai‐Long Jiang
Read original paper ↗ ·Advances in metal halide perovskite nanocrystals: Synthetic strategies, growth mechanisms, and optoelectronic applications
Materials Today · 2019-07-15
Yanxiu Li, Xiaoyu Zhang, He Huang, Stephen V. Kershaw, Andrey L. Rogach
Read original paper ↗ ·Thermal unequilibrium of strained black CsPbI 3 thin films
Science · 2019-07-25
Julian A. Steele, Handong Jin, Iurii Dovgaliuk, Robert Berger, Tom Braeckevelt, Haifeng Yuan, Cristina Martín, Eduardo Solano, Kurt Lejaeghere, Sven M. J. Rogge, Charlotte Notebaert, Wouter Vandezande, Kris P. F. Janssen, Bart Goderis, Elke Debroye, Ya‐Kun Wang, Yitong Dong, Dongxin Ma, Makhsud I. Saidaminov, Hairen Tan, Zheng‐Hong Lu, Vadim A. Dyadkin, Dmitry Chernyshov, Véronique Van Speybroeck, Edward Hartley Sargent, Johan Hofkens, Maarten B. J. Roeffaers
Read original paper ↗ ·Role of Electron–Phonon Coupling in the Thermal Evolution of Bulk Rashba-Like Spin-Split Lead Halide Perovskites Exhibiting Dual-Band Photoluminescence
ACS Energy Letters · 2019-08-19
Julian A. Steele, Pascal Puech, Bartomeu Monserrat, Bo Wu, Ruoxi Yang, Thomas Kirchartz, Haifeng Yuan, Guillaume Fleury, David Giovanni, Eduard Fron, Masoumeh Keshavarz, Elke Debroye, Guofu Zhou, Tze Chien Sum, Aron Walsh, Johan Hofkens, Maarten B. J. Roeffaers
Read original paper ↗ ·Solution-processed Solar Cells: Perovskite Solar Cells
Royal Society of Chemistry eBooks · 2019-08-19
Eva Unger, Oleksandra Shargaieva, Steffen Braunger, Pablo Docampo
Read original paper ↗ ·Transient Energy Reservoir in 2D Perovskites
Advanced Optical Materials · 2019-08-20
Zhixing Gan, Xiaoming Wen, Chunhua Zhou, Weijian Chen, Fei Zheng, Shuang Yang, Jeffrey A. Davis, Patrick C. Tapping, Tak W. Kee, Hua Zhang, Baohua Jia
Read original paper ↗ ·Mutual Insight on Ferroelectrics and Hybrid Halide Perovskites: A Platform for Future Multifunctional Energy Conversion
Advanced Materials · 2019-08-22
Richa Pandey, Gaurav Vats, Jae Sung Yun, Chris Bowen, Anita W. Y. Ho-Baillie, Jan Seidel, Keith T. Butler, Sang Il Seok
Read original paper ↗ ·Charge-Carrier Recombination in Halide Perovskites
Chemical Reviews · 2019-09-09
Dane W. deQuilettes, Kyle Frohna, David Emin, Thomas Kirchartz, Vladimir Bulović, David S. Ginger, Samuel D. Stranks
Read original paper ↗ ·Carrier lifetime enhancement in halide perovskite via remote epitaxy
Nature Communications · 2019-09-12
Jie Jiang, Xin Sun, Xinchun Chen, Baiwei Wang, Zhizhong Chen, Yang Hu, Yuwei Guo, Lifu Zhang, Yuan Ma, Lei Gao, Fengshan Zheng, Lei Jin, Min Chen, Zhiwei Ma, Yuanyuan Zhou, Nitin P. Padture, Kory Beach, Humberto Terrones, Yunfeng Shi, Daniel Gall, Toh‐Ming Lu, Esther Wertz, Jing Feng, Jian Zhong Shi
Read original paper ↗ ·Realization of predicted exotic materials: The burden of proof
Materials Today · 2019-09-25
Oleksandr I. Malyi, Gustavo M. Dalpian, Xingang Zhao, Zhi Wang, Alex Zunger
Read original paper ↗ ·It's a trap! On the nature of localised states and charge trapping in lead halide perovskites
Materials Horizons · 2019-10-08
Handong Jin, Elke Debroye, Masoumeh Keshavarz, Ivan G. Scheblykin, Maarten B. J. Roeffaers, Johan Hofkens, Julian A. Steele
Read original paper ↗ ·Perovskites – Revisiting the Venerable ABX 3 Family with Organic Flexibility and New Applications
Unknown journal · 2019-11-15
Junwei Xu, David Carroll, Koushik Biswas, Federico Moretti, S. Gridin, Richard T. Williams
Read original paper ↗ ·From Pb to Bi: A Promising Family of Pb‐Free Optoelectronic Materials and Devices
Advanced Energy Materials · 2019-11-19
Cuncun Wu, Qiaohui Zhang, Ganghong Liu, Zehao Zhang, Duo Wang, Bo Qu, Zhijian Chen, Lixin Xiao
Read original paper ↗ ·Perovskite quantum dot lasers
InfoMat · 2019-11-27
Jie Chen, Wenna Du, Jianwei Shi, Meili Li, Yue Wang, Qing Zhang, Xinfeng Liu
Read original paper ↗ ·Descriptors for Electron and Hole Charge Carriers in Metal Oxides
The Journal of Physical Chemistry Letters · 2019-12-25
Daniel W. Davies, Christopher N. Savory, Jarvist Moore Frost, David O. Scanlon, Benjamin J. Morgan, Aron Walsh
Read original paper ↗ ·A first-principles computational comparison of defect-free and disordered, fluorinated anatase TiO 2 (001) interfaces with water
RSC Advances · 2020-01-01
Kyle G. Reeves, Damien Dambournet, Christel Laberty‐Robert, Rodolphe Vuilleumier, Mathieu Salanne
Read original paper ↗ ·Theoretical and computational study on defects of solar cell materials
Acta Physica Sinica · 2020-01-01
Yuan Yin, Ling Li, Wan‐Jian Yin
Read original paper ↗ ·Optoelectronic Properties and Defect Physics of Lead-Free Photovoltaic Absorbers Cs 2 Au I Au III X 6 ( X = I , Br )
Physical Review Applied · 2020-01-06
Jiban Kangsabanik, Supriti Ghorui, M. Aslam, Aftab Alam
Read original paper ↗ ·An Ab Initio Perspective on the Key Defects of CsCu5Se3, a Possible Material for Optoelectronic Applications
The Journal of Physical Chemistry C · 2020-02-04
Adrien Stoliaroff, Stéphane Jobic, Camille Latouche
Read original paper ↗ ·Relating Defect Luminescence and Nonradiative Charge Recombination in MAPbI3 Perovskite Films
The Journal of Physical Chemistry Letters · 2020-02-10
Alexander Dobrovolsky, Aboma Merdasa, Jun Li, Katrin Hirselandt, Eva Unger, Ivan G. Scheblykin
Read original paper ↗ ·Design of Lead-Free and Stable Two-Dimensional Dion–Jacobson-Type Chalcogenide Perovskite A′La2B3S10 (A′ = Ba/Sr/Ca; B = Hf/Zr) with Optimal Band Gap, Strong Optical Absorption, and High Efficiency for Photovoltaics
Chemistry of Materials · 2020-02-25
Yu-lang Cen, Junjie Shi, Min Zhang, Meng Wu, Juan Du, Wenhui Guo, Shiming Liu, Shu-peng Han, Yaohui Zhu
Read original paper ↗ ·Multiscale computational understanding and growth of 2D materials: a review
npj Computational Materials · 2020-03-19
Kasra Momeni, Yanzhou Ji, Yuanxi Wang, Shiddartha Paul, Sara Neshani, Dündar E. Yılmaz, Yun Kyung Shin, Difan Zhang, Jin-Wu Jiang, Harold S. Park, Susan B. Sinnott, Adri C. T. van Duin, Vincent H. Crespi, Long‐Qing Chen
Read original paper ↗ ·Wide Band Gap Chalcogenide Semiconductors
Chemical Reviews · 2020-04-06
Rachel Woods-Robinson, Yanbing Han, Hanyu Zhang, Tursun Ablekim, Imran Khan, Kristin A. Persson, Andriy Zakutayev
Read original paper ↗ ·Wide Band Gap Chalcogenide Semiconductors.
eScholarship (California Digital Library) · 2020-05-01
Rachel Woods‐Robinson, Yanbing Han, Hanyu Zhang, Tursun Ablekim, Imran Khan, Kristin Aslaug Persson, Andriy Zakutayev
Read original paper ↗ ·Prediction of ternary alkaline-earth metal Sn(II) and Pb(II) chalcogenide semiconductors
Physical Review Materials · 2020-05-26
Yuwei Li, Li Wang, Yuancun Qiao, Yanbiao Gan, David Joseph Singh
Read original paper ↗ ·Hole antidoping of oxides
Physical review. B./Physical review. B · 2020-06-08
Oleksandr I. Malyi, Alex Zunger
Read original paper ↗ ·Direct Correlation of Charge Carrier Transport to Local Crystal Quality in Lead Halide Perovskites
Nano Letters · 2020-06-10
Casey L. Hickey, Erik M. Grumstrup
Read original paper ↗ ·Defect/Interface Recombination Limited Quasi-Fermi Level Splitting and Open-Circuit Voltage in Mono- and Triple-Cation Perovskite Solar Cells
ACS Applied Materials & Interfaces · 2020-07-17
Shanshan Zhang, Paul E. Shaw, Guanran Zhang, Hui Ming Jin, Meiqian Tai, Hong Lin, Paul Meredith, Paul L. Burn, Dieter Neher, Martin Stolterfoht
Read original paper ↗ ·Self-Elimination of Intrinsic Defects Improves the Low-Temperature Performance of Perovskite Photovoltaics
Joule · 2020-07-30
Yihua Chen, Shunquan Tan, Nengxu Li, Bolong Huang, Xiuxiu Niu, Liang Li, Mingzi Sun, Yù Zhang, Xiao Zhang, Cheng Zhu, Ning Yang, Huachao Zai, Yiliang Wu, Sai Ma, Yang Bai, Qi Henry Chen, Fei Xiao, Kangwen Sun, Huanping Zhou
Read original paper ↗ ·Defects chemistry in high-efficiency and stable perovskite solar cells
Journal of Applied Physics · 2020-08-11
Yihua Chen, Huanping Zhou
Read original paper ↗ ·The Holey Grail of Transparent Electronics
Matter · 2020-09-01
Aron Walsh, Ji‐Sang Park
Read original paper ↗ ·Machine Learning-Enabled Design of Point Defects in 2D Materials for Quantum and Neuromorphic Information Processing
ACS Nano · 2020-09-08
Nathan C. Frey, Deji Akinwande, Deep Jariwala, Vivek B. Shenoy
Read original paper ↗ ·High Power Factor and Enhanced Thermoelectric Performance in Sc and Bi Codoped GeTe: Insights into the Hidden Role of Rhombohedral Distortion Degree
Advanced Energy Materials · 2020-09-27
Zihang Liu, Weihong Gao, Wenhao Zhang, Naoki Sato, Quansheng Guo, Takao Mori
Read original paper ↗ ·Doping quantum materials: Defects and impurities in FeGa3
Physical review. B./Physical review. B · 2020-09-29
Juan Camilo Alvarez Quiceno, M. A. Ávila, Jorge Mario Osorio-Guillén, Gustavo M. Dalpian
Read original paper ↗ ·Origin of High Nonradiative Recombination and Relevant Optoelectronic Properties of Ba2Bi1+xNb1−xO6: Candidate for Photo(electro)catalysis and Photovoltaic Applications?
Advanced Optical Materials · 2020-10-27
Jiban Kangsabanik, Hitesh Borkar, Bhawna Bhawna, Mohd Salman Siddiqui, M. Aslam, Aftab Alam
Read original paper ↗ ·Evolutionary computing and machine learning for the discovering of low-energy defect configurations
Zenodo (CERN European Organization for Nuclear Research) · 2020-11-13
Marco Arrigoni, Georg K. H. Madsen
Read original paper ↗ ·Tin Oxynitride-Based Ferroelectric Semiconductors for Solar Energy Conversion Applications
Chemistry of Materials · 2020-11-13
Steven Hartman, Arashdeep Singh Thind, Rohan Mishra
Read original paper ↗ ·Perovskite-inspired materials for photovoltaics and beyond—from design to devices
Nanotechnology · 2020-12-01
Yi‐Teng Huang, Seán R. Kavanagh, David O. Scanlon, Aron Walsh, Robert L. Z. Hoye
Read original paper ↗ ·Improved electrical conductivity and thermoelectric performance of ZnO by doping with NaCl and CdO
Chemical Engineering Journal · 2020-12-17
Chhatrasal Gayner
Read original paper ↗ ·Triple ionic–electronic conducting oxides for next-generation electrochemical devices
Nature Materials · 2020-12-21
Meagan C. Papac, Vladan Stevanović, Andriy Zakutayev, Ryan O’Hayre
Read original paper ↗ ·Defect tolerant device geometries for lead-halide perovskites
Materials Advances · 2021-01-01
Basita Das, Zhi‐Fa Liu, Irene Aguilera, Uwe Rau, Thomas Kirchartz
Read original paper ↗ ·Hidden spontaneous polarisation in the chalcohalide photovoltaic absorber Sn 2 SbS 2 I 3
Materials Horizons · 2021-01-01
Seán R. Kavanagh, Christopher N. Savory, David O. Scanlon, Aron Walsh
Read original paper ↗ ·High-throughput computational search for high carrier lifetime, defect-tolerant solar absorbers
Energy & Environmental Science · 2021-01-01
Diana Dahliah, Guillaume Brunin, Janine George, Viet-Anh Ha, Gian‐Marco Rignanese, Geoffroy Hautier
Read original paper ↗ ·Passivation and process engineering approaches of halide perovskite films for high efficiency and stability perovskite solar cells
Energy & Environmental Science · 2021-01-01
Abd. Rashid bin Mohd Yusoff, Maria Vasilopoulou, Dimitra G. Georgiadou, Leonidas C. Palilis, Antonio Abate, Mohammad Khaja Nazeeruddin
Read original paper ↗ ·