Tailoring optical and ferroelectric properties in Sb1−xBixSI van der Waals chalcohalides towards solar absorber applications

Sara A. López-Paz, Harish K. Singh, Alba S. J. Méndez, Volodymyr Multian, Jeremie Teyssier, Ulrich Aschauer and Fabian O. von Rohr

J. Mater. Chem. A, 2026, 14, 1681
DOI: 10.1039/D5TA07038D

The electronic structure and band interface of cesium bismuth iodide on a titania heterostructure using hard X-ray spectroscopy

Dibya Phuyal, Sagar M. Jain, Bertrand Philippe, Malin B. Johansson, Meysam Pazoki, Jolla Kullgren, Kristina O. Kvashnina, Matthias Klintenberg, Erik M. J. Johansson, Sergei M. Butorin, Olof Karis and Håkan Rensmo

J. Mater. Chem. A, 2018, 6, 9498
DOI: 10.1039/C8TA00947C

Lead-free perovskite solar cells enabled by hetero-valent substitutes

Riming Nie, Ranadeep Raj Sumukam, Sathy Harshavardhan Reddy, Murali Banavoth and Sang Il Seok

Energy Environ. Sci., 2020, 13, 2363
DOI: 10.1039/D0EE01153C

Parallel exploration of the optoelectronic properties of (Sb,Bi)(S,Se)(Br,I) chalcohalides

Rasmus S. Nielsen, Ángel Labordet Álvarez, Axel G. Medaille, Ivan Caño, Alejandro Navarro-Güell, Cibrán L. Álvarez, Claudio Cazorla, David R. Ferrer, Zacharie J. Li-Kao, Edgardo Saucedo and Mirjana Dimitrievska

J. Mater. Chem. A, 2025, 13, 31727
DOI: 10.1039/D5TA05011A

Heavy pnictogen chalcohalides: the synthesis, structure and properties of these rediscovered semiconductors

Ewelina Wlaźlak, Andrzej Blachecki, Magdalena Bisztyga-Szklarz, Sylwia Klejna, Tomasz Mazur, Krzysztof Mech, Kacper Pilarczyk, Dawid Przyczyna, Maciej Suchecki, Piotr Zawal and Konrad Szaciłowski

Chem. Commun., 2018, 54, 12133
DOI: 10.1039/C8CC05149F

Uncovering the origin of enhanced field emission properties of rGO–MnO2heterostructures: a synergistic experimental and computational investigation

Sachin R. Rondiya, Indrapal Karbhal, Chandradip D. Jadhav, Mamta P. Nasane, Thomas E. Davies, Manjusha V. Shelke, Sandesh R. Jadkar, Padmakar G. Chavan and Nelson Y. Dzade

RSC Adv., 2020, 10, 25988
DOI: 10.1039/D0RA03360J

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

Christopher N. Savory, Alex M. Ganose, Will Travis, Ria S. Atri, Robert G. Palgrave and David O. Scanlon

J. Mater. Chem. A, 2016, 4, 12648
DOI: 10.1039/C6TA03376H

Hidden spontaneous polarisation in the chalcohalide photovoltaic absorber Sn2SbS2I3

Seán R. Kavanagh, Christopher N. Savory, David O. Scanlon and Aron Walsh

Mater. Horiz., 2021, 8, 2709
DOI: 10.1039/D1MH00764E

Lone pair driven anisotropy in antimony chalcogenide semiconductors

Xinwei Wang, Zhenzhu Li, Seán R. Kavanagh, Alex M. Ganose and Aron Walsh

Phys. Chem. Chem. Phys., 2022, 24, 7195
DOI: 10.1039/D1CP05373F

Facile synthesis and characterization of Bi13S18I2films as a stable supercapacitor electrode material

Keir Adams, Alba Franco González, John Mallows, Tianyue Li, Job H. J. Thijssen and Neil Robertson

J. Mater. Chem. A, 2019, 7, 1638
DOI: 10.1039/C8TA11029H

Polymorph exploration of bismuth stannate using first-principles phonon mode mapping

Warda Rahim, Jonathan M. Skelton, Christopher N. Savory, Ivana R. Evans, John S. O. Evans, Aron Walsh and David O. Scanlon

Chem. Sci., 2020, 11, 7904
DOI: 10.1039/D0SC02995E

Insight into the electronic, optical, and thermoelectric properties of novel ternary chalcohalides: next-generation energy applications

Muhammad Salman Khan, Ayed M. Binzowaimil, Catherine Stampfl, Fahmida Fakhera, Oliver J. Conquest, Mohannad Al-Hmoud and Siti Maisarah Aziz

RSC Adv., 2025, 15, 49388
DOI: 10.1039/D5RA08449K

Establishing the correlation between Rashba spin splitting and HER activity enhancement in Janus structures

Dhirendra Kumar and Sudip Chakraborty

J. Mater. Chem. A, 2024, 12, 10287
DOI: 10.1039/D3TA07896E

Ca4Sb2O and Ca4Bi2O: two promising mixed-anion thermoelectrics

Warda Rahim, Jonathan M. Skelton and David O. Scanlon

J. Mater. Chem. A, 2021, 9, 20417
DOI: 10.1039/D1TA03649A

All-inorganic and lead-free BiI3 thin film solar cells by iodization of BiSI thin films

Yuxiang Wang, Xinan Shi, Gang Wang, Junye Tong and Daocheng Pan

J. Mater. Chem. C, 2020, 8, 14066
DOI: 10.1039/D0TC03753B

Electronic and defect properties of (CH3NH3)2Pb(SCN)2I2analogues for photovoltaic applications

Alex M. Ganose, Christopher N. Savory and David O. Scanlon

J. Mater. Chem. A, 2017, 5, 7845
DOI: 10.1039/C7TA01688C

A first-principles study of quaternary thioiodides for stable lead-free solar cells

Ming Chen, Xiaofeng Dong, Weidong Luo, Zhimin Fang, Zhicheng Shan, Shengzhong (Frank) Liu and Zhuo Xu

J. Mater. Chem. C, 2023, 11, 10520
DOI: 10.1039/D2TC04965A

Bismuth chalcogenide iodides Bi13S18I2 and BiSI: solvothermal synthesis, photoelectric behavior, and photovoltaic performance

Sen Li, Linfeng Xu, Xingang Kong, Takafumi Kusunose, Noriaki Tsurumachi and Qi Feng

J. Mater. Chem. C, 2020, 8, 3821
DOI: 10.1039/C9TC05139B

Simultaneous in situ reduction and embedment of Cu nanoparticles into TiO2 for the design of exceptionally active and stable photocatalysts

Serene Wen Ling Ng, Minmin Gao, Wei Li Ong, Kane Jian Hong Lim, Connor Kang Nuo Peh and Ghim Wei Ho

J. Mater. Chem. A, 2018, 6, 16213
DOI: 10.1039/C8TA04052D

Two-dimensional eclipsed arrangement hybrid perovskites for tunable energy level alignments and photovoltaics

Zhenyu Wang, Alex M. Ganose, Chunming Niu and David O. Scanlon

J. Mater. Chem. C, 2019, 7, 5139
DOI: 10.1039/C9TC01325C

Air-stable bismuth sulfobromide (BiSBr) visible-light absorbers: optoelectronic properties and potential for energy harvesting

Xiaoyu Guo, Yi-Teng Huang, Hugh Lohan, Junzhi Ye, Yuanbao Lin, Juhwan Lim, Nicolas Gauriot, Szymon J. Zelewski, Daniel Darvill, Huimin Zhu, Akshay Rao, Iain McCulloch and Robert L. Z. Hoye

J. Mater. Chem. A, 2023, 11, 22775
DOI: 10.1039/D3TA04491B

High mobility and enhanced photoelectric performance of two-dimensional ternary compounds NaCuX (X = S, Se, and Te)

Heming Li, Xinxin Jiang, Xuhui Xu, Ge Xu, Dongmei Li, Chong Li, Bin Cui and De-Sheng Liu

Phys. Chem. Chem. Phys., 2021, 23, 2475
DOI: 10.1039/D0CP05303A

Beyond methylammonium lead iodide: prospects for the emergent field of ns2containing solar absorbers

Alex M. Ganose, Christopher N. Savory and David O. Scanlon

Chem. Commun., 2017, 53, 20
DOI: 10.1039/C6CC06475B

Growth of bismuth- and antimony-based chalcohalide single crystals by the physical vapor transport method

Ruichen Bai, Bao Xiao, Fangpei Li, Xin Liu, Shouzhi Xi, Menghua Zhu, Wanqi Jie, Bin-Bin Zhang and Yadong Xu

CrystEngComm, 2022, 24, 1094
DOI: 10.1039/D1CE01602D

First-principles insights into tin-based two-dimensional hybrid halide perovskites for photovoltaics

Zhenyu Wang, Alex M. Ganose, Chunming Niu and David O. Scanlon

J. Mater. Chem. A, 2018, 6, 5652
DOI: 10.1039/C8TA00751A

α-Bi2Sn2O7: a potential room temperature n-type oxide thermoelectric

Warda Rahim, Jonathan M. Skelton and David O. Scanlon

J. Mater. Chem. A, 2020, 8, 16405
DOI: 10.1039/D0TA03945D

The carbon cost of materials discovery: Can machine learning really accelerate the discovery of new photovoltaics?

Matthew Walker and Keith T. Butler

Mater. Horiz., 2026, 13, 1993
DOI: 10.1039/D5MH01404B

Insight into novel ErMI (M = S, Se) chalcohalide materials for next-generation energy applications

Mohannad Al-Hmoud, Banat Gul, Muhammad Salman Khan, Mahmoud AlGharram, Siti Maisarah Aziz, Tariq Al Zoubi and Ashour M. Ahmed

RSC Adv., 2025, 15, 34808
DOI: 10.1039/D5RA05496F

Tailoring sizes and compositions of heavy pnictogen bismuth thiohalide nanorods and nanowires via heat-up method

Da Won Lee, Ho Young Woo, Yoonjoo Choi, Hyesun Chung and Taejong Paik

CrystEngComm, 2023, 25, 1755
DOI: 10.1039/D2CE01588A

Influence of defects and dopants on the photovoltaic performance of Bi2S3: first-principles insights

Dan Han, Mao-Hua Du, Chen-Min Dai, Deyan Sun and Shiyou Chen

J. Mater. Chem. A, 2017, 5, 6200
DOI: 10.1039/C6TA10377D

ZnO/CuSCN Nano-Heterostructure as a Highly Efficient Field Emitter: a Combined Experimental and Theoretical Investigation

Prashant K. Baviskar, Sachin R. Rondiya, Girish P. Patil, Babasaheb R. Sankapal, Habib M. Pathan, Padmakar G. Chavan and Nelson Y. Dzade

ACS Omega, 2020, 5, 6715
DOI: 10.1021/acsomega.0c00006

Perovskite‐Inspired Materials (PIMs): Exploring Their Potential for Photovoltaic Applications

Dong‐Am Park and Nam‐Gyu Park

SusMat, 2025, 5
DOI: 10.1002/sus2.70018

Interplay of Orbital and Relativistic Effects in Bismuth Oxyhalides: BiOF, BiOCl, BiOBr, and BiOI

Alex M. Ganose, Madeleine Cuff, Keith T. Butler, Aron Walsh and David O. Scanlon

Chem. Mater., 2016, 28, 1980
DOI: 10.1021/acs.chemmater.6b00349

Solution processed bismuth oxyiodide (BiOI) thin films and solar cells

Thomas Feeney, Gabriel Aygur, Tony Nguyen, Sidra Farooq, Joao Mendes, Hayden Tuohey, Daniel E Gómez, Enrico Della Gaspera and Joel van Embden

Nanotechnology, 2023, 34, 305404
DOI: 10.1088/1361-6528/acc1df

Synthesis of bismuth sulphoiodide thin films from single precursor solution

Vipinraj Sugathan, Biplab Ghosh, Pandinhare C. Harikesh, Vishal Kotha, Parth Vashishtha, Teddy Salim, Aswani Yella and Nripan Mathews

Solar Energy, 2021, 230, 714
DOI: 10.1016/j.solener.2021.10.041

Research Update: Bismuth-based perovskite-inspired photovoltaic materials

Lana C. Lee, Tahmida N. Huq, Judith L. MacManus-Driscoll and Robert L. Z. Hoye

APL Materials, 2018, 6
DOI: 10.1063/1.5029484

Harnessing the photoelectrochemical properties of BiSI nanorods towards the degradation of norfloxacin in water

Babatunde A. Koiki and Omotayo A. Arotiba

Applied Catalysis O: Open, 2025, 206, 207059
DOI: 10.1016/j.apcato.2025.207059

Thermodynamic study of antimony chalcoiodides by EMF method with an ionic liquid

Ziya Sakhaveddin Aliev, Sabina Sahib Musayeva, Samira Zakir Imamaliyeva and Mahammad Baba Babanly

J Therm Anal Calorim, 2018, 133, 1115
DOI: 10.1007/s10973-017-6812-4

First-principles study on structural, vibrational, elastic, piezoelectric, and electronic properties of the Janus BiXY ( X=S,Se,Te and Y=F,Cl,Br,I ) monolayers

M. Jahangirzadeh Varjovi and E. Durgun

Phys. Rev. Materials, 2021, 5
DOI: 10.1103/PhysRevMaterials.5.104001

High-efficiency optoelectronics via quantum confinement in Ruddlesden–Popper pseudo-halide perovskites

Waqar Ahmad, Ata Ur Rahman, Najah Alwadie and Imad Khan

Int. J. Mod. Phys. B, 2026, 40
DOI: 10.1142/S021797922650061X

Polarization‐Sensitive Photodetector Based on High Crystallinity Quasi‐1D BiSeI Nanowires Synthesized via Chemical Vapor Deposition

Yubin Li, Shiyao Wang, Jinhua Hong, Nannan Zhang, Xin Wei, Tao Zhu, Yao Zhang, Zhuo Xu, Kaiqiang Liu, Man Jiang and Hua Xu

Small, 2023, 19
DOI: 10.1002/smll.202302623

Prospect for Bismuth/Antimony Chalcohalides‐Based Solar Cells

Jizhou He, Xiaodong Hu, Zonghao Liu, Wei Chen and Giulia Longo

Adv Funct Materials, 2023, 33
DOI: 10.1002/adfm.202306075

Exploring the PbS–Bi2S3 Series for Next Generation Energy Conversion Materials

Christopher N. Savory, Alex M. Ganose and David O. Scanlon

Chem. Mater., 2017, 29, 5156
DOI: 10.1021/acs.chemmater.7b00628

New Family of Two-Dimensional Ternary Photoelectric Materials

Wangping Xu, Rui Wang, Baobing Zheng, Xiaozhi Wu and Hu Xu

ACS Appl. Mater. Interfaces, 2019, 11, 14457
DOI: 10.1021/acsami.9b00969

The Quasi-Ternary System Bi2S3–Bi2Te3–BiI3

E. J. Ahmadov, Z. S. Aliev, D. M. Babanly, S. Z. Imamaliyeva, V. A. Gasymov and M. B. Babanly

Russ. J. Inorg. Chem., 2021, 66, 538
DOI: 10.1134/S0036023621040021

High-Performance Visible Light Photodetector Based on BiSeI Single Crystal

Xiu Yan, Wei-Li Zhen, Hui-Jie Hu, Li Pi, Chang-Jin Zhang and Wen-Ka Zhu

Chinese Phys. Lett., 2021, 38, 068103
DOI: 10.1088/0256-307X/38/6/068103

Mixed Chalcogenide‐Halides for Stable, Lead‐Free and Defect‐Tolerant Photovoltaics: Computational Screening and Experimental Validation of CuBiSCl2 with Ideal Band Gap

Chen Ming, Zhizhong Chen, Fan Zhang, Shuiping Gong, Xiaowei Wu, Jie Jiang, Tang Ye, Qing Xu, Ke Yang, Liang Wang, Xun Cao, Songwang Yang, Shengbai Zhang, Yong Zhang, Jian Shi and Yi‐Yang Sun

Adv Funct Materials, 2022, 32
DOI: 10.1002/adfm.202112682

Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells

Cibrán López, Seán R. Kavanagh, Pol Benítez, Edgardo Saucedo, Aron Walsh, David O. Scanlon and Claudio Cazorla

Chem. Mater., 2026, 38, 2893
DOI: 10.1021/acs.chemmater.5c03275

Exploring the stable structures and photovoltaic properties of an ideal pseudo-binary alloy: Indium gallium phosphide

Pengyan Xue, Yanting Wang and Evgenii Tikhonov

Computational Materials Science, 2022, 209, 111351
DOI: 10.1016/j.commatsci.2022.111351

Antiperovskite Sr3MN and Ba3MN (M = Sb or Bi) as promising photovoltaic absorbers for thin‐film solar cells: A first‐principles study

Youngho Kang

J Am Ceram Soc., 2022, 105, 5807
DOI: 10.1111/jace.18553

High Gain Solution‐Processed Carbon‐Free BiSI Chalcohalide Thin Film Photodetectors

Sidra Farooq, Thomas Feeney, Joao O. Mendes, Vaishnavi Krishnamurthi, Sumeet Walia, Enrico Della Gaspera and Joel van Embden

Adv Funct Materials, 2021, 31
DOI: 10.1002/adfm.202104788

First-principles study on the ultralow lattice thermal conductivity of BiSeI

Yucong He and Jian Zhou

Physica B: Condensed Matter, 2022, 646, 414278
DOI: 10.1016/j.physb.2022.414278

One-pot synthesis of BiSCl–Bi6.88S8·64Cl3.36 nanorods for rhodamine B photodegradation in water

Zehao Li, Wangzhe Xia, Rui Qin, Fangping Wu, Zhihan Cai and Jianhong Wu

Journal of Solid State Chemistry, 2024, 333, 124646
DOI: 10.1016/j.jssc.2024.124646

The Rise of Chalcohalide Solar Cells: Comprehensive Insights From Materials to Devices

Hongrui Zhang, Yiming Xia, Yangfan Zhang, Uma V. Ghorpade, Mingrui He, Seung Wook Shin, Xiaojing Hao and Mahesh P. Suryawanshi

Advanced Science, 2025, 12
DOI: 10.1002/advs.202413131

Revealing the role of thiocyanate anion in layered hybrid halide perovskite (CH3NH3)2Pb(SCN)2I2

Gang Tang, Chao Yang, Alessandro Stroppa, Daining Fang and Jiawang Hong

The Journal of Chemical Physics, 2017, 146
DOI: 10.1063/1.4984615

Mechanochemical synthesis of BiSI and Bi19S27I3 semiconductor materials

Zhao Li, Qiwu Zhang, Lei Wu, Weijian Gu and Yanchu Liu

Advanced Powder Technology, 2019, 30, 1985
DOI: 10.1016/j.apt.2019.06.007

Nanostructured Metal Chalcohalide Photocatalysts: Crystal Structures, Synthesis, and Applications

Sanjib Shyamal and Narayan Pradhan

ACS Energy Lett., 2023, 8, 3902
DOI: 10.1021/acsenergylett.3c01236

Perovskite-Inspired Photovoltaic Materials: Toward Best Practices in Materials Characterization and Calculations

Robert L. Z. Hoye, Philip Schulz, Laura T. Schelhas, Aaron M. Holder, Kevin H. Stone, John D. Perkins, Derek Vigil-Fowler, Sebastian Siol, David O. Scanlon, Andriy Zakutayev, Aron Walsh, Ian C. Smith, Brent C. Melot, Rachel C. Kurchin, Yiping Wang, Jian Shi, Francisco C. Marques, Joseph J. Berry, William Tumas, Stephan Lany, Vladan Stevanović, Michael F. Toney and Tonio Buonassisi

Chem. Mater., 2017, 29, 1964
DOI: 10.1021/acs.chemmater.6b03852

First-principles study of the quasi-one-dimensional organic-inorganic hybrid perovskites (MV)AI3Cl2 ( MV=methylviologen ; A=Bi,Sb )

Chao Wang, Yunlin Lei, Winnie Wong-Ng, Qiang Gu, Xingxing Wu, Wei Zhou, Shouyu Wang and Weifang Liu

Phys. Rev. B, 2021, 104
DOI: 10.1103/PhysRevB.104.075138

Understanding the Crystal Growth of Bismuth Chalcohalide Nanorods through a Self-Sacrificing Template Process: A Comprehensive Study

Maia Mombrú Frutos, Carolina Grosso, Álvaro Olivera, Heinkel Bentos Pereira, Laura Fornaro and Ivana Aguiar

Inorg. Chem., 2022, 61, 9231
DOI: 10.1021/acs.inorgchem.2c00846

Recent Development Strategies for Bismuth‐Driven Materials in Sustainable Energy Systems and Environmental Restoration

Sangeeta Adhikari, Sandip Mandal and Do‐Heyoung Kim

Small, 2023, 19
DOI: 10.1002/smll.202206003

Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers

Cibrán López, Seán R. Kavanagh, Pol Benítez, Edgardo Saucedo, Aron Walsh, David O. Scanlon and Claudio Cazorla

ACS Energy Lett., 2025, 10, 3562
DOI: 10.1021/acsenergylett.5c01267

Quasiparticle Effects and Strong Excitonic Features in Exfoliable 1D Semiconducting Materials

Simone Grillo, Chiara Cignarella, Friedhelm Bechstedt, Paola Gori, Maurizia Palummo, Davide Campi, Nicola Marzari and Olivia Pulci

ACS Nano, 2026, 20, 2664
DOI: 10.1021/acsnano.5c14061

Defect Engineering of Earth-Abundant Solar Absorbers BiSI and BiSeI

Alex M. Ganose, Saya Matsumoto, John Buckeridge and David O. Scanlon

Chem. Mater., 2018, 30, 3827
DOI: 10.1021/acs.chemmater.8b01135

Above 600 mV Open-Circuit Voltage BiI3 Solar Cells

Devendra Tiwari, Dominic Alibhai and David J Fermin

ACS Energy Lett., 2018, 3, 1882
DOI: 10.1021/acsenergylett.8b01182

Synthesis and properties of quasi-one-dimensional BiSBr crystals via the Bridgman-Stockbarger technique

R. Sereika, Š. Varnagiris, M. Urbonavičius, R. Žaltauskas and D. Milčius

Journal of Crystal Growth, 2024, 643, 127816
DOI: 10.1016/j.jcrysgro.2024.127816

Centimeter size BiSeI crystal grown by physical vapor transport method

Bao Xiao, Mengqin Zhu, Leilei Ji, Bin-Bin Zhang, Jiangpeng Dong, Jingyi Yu, Qihao Sun, Wanqi Jie and Yadong Xu

Journal of Crystal Growth, 2019, 517, 7
DOI: 10.1016/j.jcrysgro.2019.04.003

Ab initio study of M2SnBr6(M = K, Rb, Cs): Electronic and optical properties

H. Xia, R. Patterson, G. Conibeer and S. Huang

EPL, 2016, 115, 57002
DOI: 10.1209/0295-5075/115/57002

Radiative recombination model for BiSeI microcrystals: unveiling deep defects through photoluminescence

Marc Dolcet Sadurni, Jüri Krustok, Kristi Timmo, Valdek Mikli, Rokas Kondrotas, Maarja Grossberg-Kuusk and Marit Kauk-Kuusik

J. Phys. Energy, 2024, 6, 045004
DOI: 10.1088/2515-7655/ad8377

Enhanced Field Emission Properties of Au/SnSe Nano-heterostructure: A Combined Experimental and Theoretical Investigation

Sachin R. Rondiya, Chandradip D. Jadhav, Padmakar G. Chavan and Nelson Y. Dzade

Sci Rep, 2020, 10
DOI: 10.1038/s41598-020-58840-8

Tolerance Factor and Cooperative Tilting Effects in Vacancy-Ordered Double Perovskite Halides

Annalise E. Maughan, Alex M. Ganose, Mohammed A. Almaker, David O. Scanlon and James R. Neilson

Chem. Mater., 2018, 30, 3909
DOI: 10.1021/acs.chemmater.8b01549

Construction of 3D/2D visible light-driven BiSI/C3N5 Z-type heterojunctions for efficient antibiotic degradation: mechanism elucidation, degradation pathways, and toxicity calculations

Yujie Liu, Rui Zhang, Maoqin Xu and Zixi Li

Inorganic Chemistry Communications, 2026, 187, 116308
DOI: 10.1016/j.inoche.2026.116308

2D Growth of BiSCl as Anisotropic Photodetector with Ultrahigh Responsivity and Detectivity

Ziheng Lin, Xuanhao Yuan, Ruize Wang, Yan Li, Lei Shi, Weili Cui, Lishan Liang, Zihao Huang, Fei Tian, Yong Sun and Chengxin Wang

Advanced Optical Materials, 2024, 12
DOI: 10.1002/adom.202400664

Rapid synthesis of chalcohalides by ball milling: Preparation and characterisation of BiSI and BiSeI

Sana Z.M. Murtaza and Paz Vaqueiro

Journal of Solid State Chemistry, 2020, 291, 121625
DOI: 10.1016/j.jssc.2020.121625

High-Throughput Discovery of Semiconductors with Antibonding Valence Band and Bonding Conduction Band

Zeyu Xiang, Fanghao Zhang and Bolin Liao

ACS Materials Lett., 2025, 7, 3916
DOI: 10.1021/acsmaterialslett.5c01111

Anharmonicity and Octahedral Tilting in Hybrid Vacancy-Ordered Double Perovskites

Annalise E. Maughan, Alex M. Ganose, Andrew M. Candia, Juliette T. Granger, David O. Scanlon and James R. Neilson

Chem. Mater., 2018, 30, 472
DOI: 10.1021/acs.chemmater.7b04516

Ribbons of Light: Emerging (Sb,Bi)(S,Se)(Br,I) Van der Waals Chalcohalides for Next‐Generation Energy Applications

Ivan Caño, Alejandro Navarro‐Güell, Edoardo Maggi, Axel Gon Medaille, David Rovira, Alex Jimenez‐Arguijo, Oriol Segura, Arnau Torrens, Maykel Jimenez, Cibrán López, Pol Benítez, Claudi Cazorla, Zac Jehl, Yuancai Gong, José‐Miguel Asensi, Lorenzo Calvo‐Barrio, Lluís Soler, Jordi Llorca, Josep‐Lluís Tamarit, Beatriz Galiana, Mirjana Dimitrievska, Nazaret Ruiz‐Marín, Hao Zhe Chun, Lydia Wong, Joaquim Puigdollers, Marcel Placidi and Edgardo Saucedo

Small, 2025, 21
DOI: 10.1002/smll.202505430

Solution Growth of BiSI Nanorod Arrays on a Tungsten Substrate for Solar Cell Application

Jinsong Xiong, Ziting You, Shuijin Lei, Kehan Zhao, Qinghuan Bian, Yanhe Xiao and Baochang Cheng

ACS Sustainable Chem. Eng., 2020, 8, 13488
DOI: 10.1021/acssuschemeng.0c04532

Bismuth sulfoiodide (BiSI) for photo-chargeable charge storage device

Amit Kumar Pathak, A. Chithra Mohan and Sudip K. Batabyal

Appl. Phys. A, 2022, 128
DOI: 10.1007/s00339-022-05416-0

Compositional Engineering of Antimony Chalcoiodides via a Two-Step Solution Process for Solar Cell Applications

Kang-Won Jung and Yong Chan Choi

ACS Appl. Energy Mater., 2022, 5, 5348
DOI: 10.1021/acsaem.1c02676

Chained Materials: Definition, Understandings, and Applications

Shuaicheng Lu, Kanghua Li, Liang Wang, Ying Zhou, Chao Chen and Jiang Tang

Chem. Rev., 2026, 126, 2846
DOI: 10.1021/acs.chemrev.5c00527

Controlled Growth of BiSI Nanorod-Based Films through a Two-Step Solution Process for Solar Cell Applications

Yong Chan Choi and Eunjeong Hwang

Nanomaterials, 2019, 9, 1650
DOI: 10.3390/nano9121650

Highly efficient field emission properties of vertically aligned 2D CuSe nanosheets: An experimental and theoretical investigation

Chandradip D. Jadhav, Sachin R. Rondiya, Reshma C. Hambire, Devashri R. Baviskar, Avinash V. Deore, Russell W. Cross, Nelson Y. Dzade and Padmakar G. Chavan

Journal of Alloys and Compounds, 2021, 875, 159987
DOI: 10.1016/j.jallcom.2021.159987

Pressure-induced superconductivity in the photoelectric semiconductor BiSeI

Chao An, Xiaolan Du, Xuliang Chen, Ying Zhou, Min Zhang, Yonghui Zhou, Jian Zhou and Zhaorong Yang

Phys. Rev. B, 2023, 107
DOI: 10.1103/PhysRevB.107.134501

Te Substitution-Induced Structural Evolution and Thermoelectric Properties of Quasi-1D BiSeI

Zhang Zhiyao, Feng Zuyong and Zhou Jian

Advanced Materials & Sustainable Manufacturing, 2026, 3, 10004
DOI: 10.70322/amsm.2026.10004

Wide‐Bandgap Perovskite‐Inspired Materials: Defect‐Driven Challenges for High‐Performance Optoelectronics

G. Krishnamurthy Grandhi, David Hardy, Mokurala Krishnaiah, Brenda Vargas, Basheer Al‐Anesi, Mahesh P. Suryawanshi, Diego Solis‐Ibarra, Feng Gao, Robert L. Z. Hoye and Paola Vivo

Adv Funct Materials, 2024, 34
DOI: 10.1002/adfm.202307441

Anisotropic PC6N Monolayer with Wide Band Gap and Ultrahigh Carrier Mobility

Cong Wang, Tong Yu, Aitor Bergara, Xin Du, Fei Li and Guochun Yang

J. Phys. Chem. C, 2020, 124, 4330
DOI: 10.1021/acs.jpcc.0c00494

Bismuth sulfoiodide (BiSI) nanorods: synthesis, characterization, and photodetector application

Krystian Mistewicz, Tushar Kanti Das, Bartłomiej Nowacki, Albert Smalcerz, Hoe Joon Kim, Sugato Hajra, Marcin Godzierz and Olha Masiuchok

Sci Rep, 2023, 13
DOI: 10.1038/s41598-023-35899-7

Surface reconstruction of BiSI nanorods for superb photocatalytic Cr(VI) reduction under near-infrared light irradiation

Jin Liu, Juan Wu, Nannan Wang, Fengshou Tian and Jun Li

Chemical Engineering Journal, 2022, 435, 135152
DOI: 10.1016/j.cej.2022.135152

1D SbSeI, SbSI, and SbSBr With High Stability and Novel Properties for Microelectronic, Optoelectronic, and Thermoelectric Applications

Bo Peng, Ke Xu, Hao Zhang, Zeyu Ning, Hezhu Shao, Gang Ni, Jing Li, Yongyuan Zhu, Heyuan Zhu and Costas M. Soukoulis

Advcd Theory and Sims, 2018, 1
DOI: 10.1002/adts.201700005

Efficient Solar Cells Employing Light‐Harvesting Sb0.67Bi0.33SI

Riming Nie, Jino Im and Sang Il Seok

Advanced Materials, 2019, 31
DOI: 10.1002/adma.201808344

2D BiSeI Nanosheets for Broadband Self‐Powered Photoelectrochemical Photodetector

Lei Xu, Mengtong Yang, Qidong Lu, Yuxin Ren, Yi Chen, Jinjia Guo, Mingjie Cai, Xiao Miao, Feng Teng, Haibo Fan, Chunmei Zhang, Xuexia He and Peng Hu

Physica Rapid Research Ltrs, 2024, 18
DOI: 10.1002/pssr.202300183

Composition-Dependent Photoelectrochemical Properties of Low-Toxic Bismuth Chalcohalide Nanorods Synthesized via a Solution-Phase Method

Wentao ZHANG, Yumeno KASUGA, Kazutaka AKIYOSHI, Tatsuya KAMEYAMA and Tsukasa TORIMOTO

Electrochemistry, 2025, 93, 094012
DOI: 10.5796/electrochemistry.25-72092

Brief review of emerging photovoltaic absorbers

Andriy Zakutayev

Current Opinion in Green and Sustainable Chemistry, 2017, 4, 8
DOI: 10.1016/j.cogsc.2017.01.002

Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies

Douglas H. Fabini, Mitchell Koerner and Ram Seshadri

Chem. Mater., 2019, 31, 1561
DOI: 10.1021/acs.chemmater.8b04542

Exploring the potential of powder-to-film processing for proof-of-concept BaZrS3 perovskite solar cells

P. Dallas, K. Gkini, A. Kaltzoglou, L. Givalou, M. Konstantakou, S. Orfanoudakis, N. Boukos, E. Sakellis, P. Tsipas, A. Kalafatis, A.G. Karydas, A. Lagogiannis, P. Falaras, V. Psycharis and T. Stergiopoulos

Materials Today Communications, 2024, 39, 108608
DOI: 10.1016/j.mtcomm.2024.108608

Crystal structure and second harmonic generation in Bi2TeO5: An X-N study from synchrotron and neutron diffraction data

C.A. López, E. Bâati, M.T. Fernández-Díaz, F.O. Saouma, J.I. Jang and J.A. Alonso

Journal of Solid State Chemistry, 2019, 276, 122
DOI: 10.1016/j.jssc.2019.04.035

Photovoltaic Performance of Phase-Pure Orthorhombic BiSI Thin-Films

Devendra Tiwari, Fabiola Cardoso-Delgado, Dominic Alibhai, Maia Mombrú and David J. Fermín

ACS Appl. Energy Mater., 2019, 2, 3878
DOI: 10.1021/acsaem.9b00544

Alternative Lone‐Pair ns2‐Cation‐Based Semiconductors beyond Lead Halide Perovskites for Optoelectronic Applications

Tianshu Li, Shulin Luo, Xinjiang Wang and Lijun Zhang

Advanced Materials, 2021, 33
DOI: 10.1002/adma.202008574

Perspective: Theory and simulation of hybrid halide perovskites

Lucy D. Whalley, Jarvist M. Frost, Young-Kwang Jung and Aron Walsh

The Journal of Chemical Physics, 2017, 146
DOI: 10.1063/1.4984964

Optical, electronic, and elastic properties of some A5B6C7ferroelectrics (A=Sb, Bi; B=S, Se; C=I, Br, Cl): First principle calculation

Husni Koc, Selami Palaz, Amirullah M. Mamedov and Ekmel Ozbay

Ferroelectrics, 2017, 511, 22
DOI: 10.1080/00150193.2017.1332967

Band Alignments, Band Gap, Core Levels, and Valence Band States in Cu3BiS3 for Photovoltaics

Thomas J. Whittles, Tim D. Veal, Christopher N. Savory, Peter J. Yates, Philip A. E. Murgatroyd, James T. Gibbon, Max Birkett, Richard J. Potter, Jonathan D. Major, Ken Durose, David O. Scanlon and Vinod R. Dhanak

ACS Appl. Mater. Interfaces, 2019, 11, 27033
DOI: 10.1021/acsami.9b04268

Main-Group Halide Semiconductors Derived from Perovskite: Distinguishing Chemical, Structural, and Electronic Aspects

Douglas H. Fabini, John G. Labram, Anna J. Lehner, Jonathon S. Bechtel, Hayden A. Evans, Anton Van der Ven, Fred Wudl, Michael L. Chabinyc and Ram Seshadri

Inorg. Chem., 2017, 56, 11
DOI: 10.1021/acs.inorgchem.6b01539

Study on BiSI Thin Films for Ultraviolet Photodetectors

博杨

MS, 2022, 12, 40
DOI: 10.12677/MS.2022.121004

Improved Charge Separation and Photovoltaic Performance of BiI3 Absorber Layers by Use of an In Situ Formed BiSI Interlayer

Bowon Yoo, Dong Ding, Jose M. Marin-Beloqui, Luis Lanzetta, Xiangnan Bu, Thomas Rath and Saif A. Haque

ACS Appl. Energy Mater., 2019, 2, 7056
DOI: 10.1021/acsaem.9b00838

Stereochemical expression of ns2 electron pairs in metal halide perovskites

Yongping Fu, Song Jin and X.-Y. Zhu

Nat Rev Chem, 2021, 5, 838
DOI: 10.1038/s41570-021-00335-9

Insight into the optoelectronic and thermoelectric properties of novel LaSeM (M = Cl, F) chalcohalide semiconductors: ab-initio study

Muhammad Salman Khan, Banat Gul, Abdelhay Salah Mohamed, Siti Maisarah Aziz and Faheem Abbas

Phys. Scr., 2025, 100, 015999
DOI: 10.1088/1402-4896/ad9ef9

Effects of cationic substitution on the properties of Sb1-xBixSeI (x = 0–1) compounds

Marc Dolcet Sadurni, Kristi Timmo, Valdek Mikli, Jüri Krustok, Mati Danilson, Artūras Suchodolskis, Cristian Radu, Amelia Elena Bocirnea, Aurelian Catalin Galca, Maarja Grossberg-Kuusk and Marit Kauk-Kuusik

Journal of Alloys and Compounds, 2025, 1037, 182292
DOI: 10.1016/j.jallcom.2025.182292

Harnessing Defect-Tolerance at the Nanoscale: Highly Luminescent Lead Halide Perovskite Nanocrystals in Mesoporous Silica Matrixes

Dmitry N. Dirin, Loredana Protesescu, David Trummer, Ilia V. Kochetygov, Sergii Yakunin, Frank Krumeich, Nicholas P. Stadie and Maksym V. Kovalenko

Nano Lett., 2016, 16, 5866
DOI: 10.1021/acs.nanolett.6b02688

Enhanced optoelectronic performance and photogating effect in quasi-one-dimensional BiSeI wires

H. J. Hu, W. L. Zhen, S. R. Weng, Y. D. Li, R. Niu, Z. L. Yue, F. Xu, L. Pi, C. J. Zhang and W. K. Zhu

Applied Physics Letters, 2022, 120
DOI: 10.1063/5.0080334

Intrinsic ultra-low lattice thermal conductivity in orthorhombic BiSI: An excellent thermoelectric material

Prakash Govindaraj and Kathirvel Venugopal

Journal of Alloys and Compounds, 2022, 929, 167347
DOI: 10.1016/j.jallcom.2022.167347

Quasi-particle electronic band structure and alignment of the V-VI-VII semiconductors SbSI, SbSBr, and SbSeI for solar cells

Keith T. Butler, Scott McKechnie, Pooya Azarhoosh, Mark van Schilfgaarde, David O. Scanlon and Aron Walsh

Applied Physics Letters, 2016, 108
DOI: 10.1063/1.4943973

Two-transition behavior in Bi0.5Sb0.5SeI crystals

R. Sereika, R. Žaltauskas, S. Bandaru, F. Liu and A. Čerškus

Journal of Physics and Chemistry of Solids, 2021, 154, 110031
DOI: 10.1016/j.jpcs.2021.110031

Transforming III-V binaries into stable ternary materials for solar cells applications

N. Belmiloud, A. Menad, A. Zaoui and M. Ferhat

Journal of Physics and Chemistry of Solids, 2023, 181, 111485
DOI: 10.1016/j.jpcs.2023.111485

Optoelectronic properties of all-inorganic pseudo-halide perovskite Cs2Pb(SCN)2Br2: a first-principles study

Waqar Ahmad, Atta Ur Rahman, Iftikhar Ahmad and Imad Khan

Chemical Physics, 2026, 603, 113052
DOI: 10.1016/j.chemphys.2025.113052

A Study on N-Type Bismuth Sulphochloride (BiSCl): Efficient Synthesis and Characterization

H. Zhang, S. H. Sun, J. C. Liu, F. Hong, Y. Zhu, B. Zhou and Y. M. Hu

NANO, 2020, 15, 2050116
DOI: 10.1142/S1793292020501167

Structural and Optical Properties of Sb-Substituted BiSI Grown from Sulfur/Iodine Flux

Ryan A. Groom, Allison Jacobs, Marisa Cepeda, Rachel Drummey and Susan E. Latturner

Inorg. Chem., 2017, 56, 12362
DOI: 10.1021/acs.inorgchem.7b01839

Accelerating the development of new solar absorbers by photoemission characterization coupled with density functional theory

Tim D Veal, David O Scanlon, Robert Kostecki and Elisabetta Arca

J. Phys. Energy, 2021, 3, 032001
DOI: 10.1088/2515-7655/abebc9

Bi 13 S 18 X 2 -Based Solar Cells ( X = Cl, Br, I): Photoelectric Behavior and Photovoltaic Performance

Sen Li, Linfeng Xu, Xinggang Kong, Takafumi Kusunose, Noriaki Tsurumachi and Qi Feng

Phys. Rev. Applied, 2021, 15
DOI: 10.1103/PhysRevApplied.15.034040

Investigation of growth mechanism for highly oriented TiO2 nanorods: the role of reaction time and annealing temperature

Bharat R. Bade, Sachin Rondiya, Somnath R. Bhopale, Nelson Y. Dzade, Mahesh M. Kamble, Avinash Rokade, Mamta P. Nasane, Mahendra A. More, Sandesh R. Jadkar and Adinath M. Funde

SN Appl. Sci., 2019, 1
DOI: 10.1007/s42452-019-0978-2

Emerging Chalcohalide Materials for Energy Applications

Uma V. Ghorpade, Mahesh P. Suryawanshi, Martin A. Green, Tom Wu, Xiaojing Hao and Kevin M. Ryan

Chem. Rev., 2023, 123, 327
DOI: 10.1021/acs.chemrev.2c00422

Exploration of the structural, optoelectronic and vibrational behavior of Sb2S3 through the first principles approach for phenomenal applications in solar cells

R. M. Arif Khalil, Muhammad Iqbal Hussain, Nyla Saeed, Fayyaz Hussain, Anwar Manzoor Rana, Amjad Ali and H. H. Somaily

Opt Quant Electron, 2022, 54
DOI: 10.1007/s11082-022-04190-w

Effect of Heat Treatment on Performance of Perovskite Solar Cells

星辰王

MS, 2021, 11, 801
DOI: 10.12677/MS.2021.117092

Narrow-band anisotropic electronic structure of ReS2

D. Biswas, Alex M. Ganose, R. Yano, J. M. Riley, L. Bawden, O. J. Clark, J. Feng, L. Collins-Mcintyre, M. T. Sajjad, W. Meevasana, T. K. Kim, M. Hoesch, J. E. Rault, T. Sasagawa, David O. Scanlon and P. D. C. King

Phys. Rev. B, 2017, 96
DOI: 10.1103/PhysRevB.96.085205

Defective Bi.333(Bi6S9)Br/Bi2S3 heterostructure nanorods: Boosting the activity for efficient visible-light photocatalytic Cr(VI) reduction

Lili Ai, Luxiang Wang, Mengjiao Xu, Su Zhang, Nannan Guo, Dianzeng Jia and Lixia Jia

Applied Catalysis B: Environmental, 2021, 284, 119730
DOI: 10.1016/j.apcatb.2020.119730

Local corrugation and persistent charge density wave in ZrTe3 with Ni intercalation

Alex M. Ganose, Liam Gannon, Federica Fabrizi, Hariott Nowell, Sarah A. Barnett, Hechang Lei, Xiangde Zhu, Cedomir Petrovic, David O. Scanlon and Moritz Hoesch

Phys. Rev. B, 2018, 97
DOI: 10.1103/PhysRevB.97.155103

Recent Progress in Fabrication of Antimony/Bismuth Chalcohalides for Lead-Free Solar Cell Applications

Yong Chan Choi and Kang-Won Jung

Nanomaterials, 2020, 10, 2284
DOI: 10.3390/nano10112284

Crystal and Electronic Structure of Bismuth Thiophosphate, BiPS4: An Earth-Abundant Solar Absorber

Devendra Tiwari, Dominic Alibhai, David Cherns and David J Fermin

Chem. Mater., 2020, 32, 1235
DOI: 10.1021/acs.chemmater.9b04626

Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs2SnI6 and Cs2TeI6

Annalise E. Maughan, Alex M. Ganose, Mitchell M. Bordelon, Elisa M. Miller, David O. Scanlon and James R. Neilson

J. Am. Chem. Soc., 2016, 138, 8453
DOI: 10.1021/jacs.6b03207

Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures

Ryan Groom, Allison Jacobs, Marisa Cepeda, Rachel Drummey and Susan E. Latturner

Chem. Mater., 2017, 29, 3314
DOI: 10.1021/acs.chemmater.7b00702

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

Beatrix Blank, Thomas Kirchartz, Stephan Lany and Uwe Rau

Phys. Rev. Applied, 2017, 8
DOI: 10.1103/PhysRevApplied.8.024032

Enhanced Photovoltaic Performance of BiSCl Solar Cells Through Nanorod Array

Sen Li, Linfeng Xu, Xingang Kong, Takafumi Kusunose, Noriaki Tsurumach and Qi Feng

ChemSusChem, 2021, 14, 3351
DOI: 10.1002/cssc.202101161

Bismuth and antimony-based oxyhalides and chalcohalides as potential optoelectronic materials

Zhao Ran, Xinjiang Wang, Yuwei Li, Dongwen Yang, Xin-Gang Zhao, Koushik Biswas, David J. Singh and Lijun Zhang

npj Comput Mater, 2018, 4
DOI: 10.1038/s41524-018-0071-1

Quasiparticle GW Calculations on Lead-Free Hybrid Germanium Iodide Perovskite CH3NH3GeI3 for Photovoltaic Applications

Deivasigamani Umadevi and Graeme W. Watson

ACS Omega, 2019, 4, 5661
DOI: 10.1021/acsomega.8b03291

Spin–orbit coupling effect on electronic, linear and nonlinear optical properties of Bi2S3 and the ternary bismuth sulfide Bi2S2.75Se0.25: Ab-initio calculations

H. Ben Abdallah and W. Ouerghui

Opt Quant Electron, 2022, 54
DOI: 10.1007/s11082-021-03411-y

Low-Temperature Synthesis of Bismuth Chalcohalides: Candidate Photovoltaic Materialswith Easily, Continuously Controllable Band gap

Hironobu Kunioku, Masanobu Higashi and Ryu Abe

Sci Rep, 2016, 6
DOI: 10.1038/srep32664

Constructing AgI/BiSI p-n heterojunctions with an internal electric field for efficient degradation of refractory organic pollutants

Jin Liu, Qian Zhong, Yanjin Wang, Zezhi Zhang, Huiqin Zheng, Bin Yan and Yurong Shi

Arabian Journal of Chemistry, 2024, 17, 105844
DOI: 10.1016/j.arabjc.2024.105844

Determination of the thermodynamic functions of bismuth chalcoiodides by EMF method with morpholinium formate as electrolyte

Samira Zakir Imamaliyeva, Sabina Sahib Musayeva, Dunya Mahammad Babanly, Yasin Isa Jafarov, Dilgam Babir Taghiyev and Mahammad Baba Babanly

Thermochimica Acta, 2019, 679, 178319
DOI: 10.1016/j.tca.2019.178319

Bismuth chalcohalide-based nanocomposite for application in ionising radiation detectors

Maia Mombrú Frutos, María Eugenia Pérez Barthaburu, Laura Fornaro and Ivana Aguiar

Nanotechnology, 2020, 31, 225710
DOI: 10.1088/1361-6528/ab7675

Unveiling dual emission phenomena in NdCl3 doped Cs2SnCl6 perovskite: A comprehensive luminescence investigation

Aadil Ahmad Bhat, Tuiba Mearaj, Aaliyah Farooq, Zulfqar Ali Sheikh, Amir Hussain Wani, Hanof Dawas Alkhaldi and Majed A. Bajaber

Solar Energy, 2024, 271, 112418
DOI: 10.1016/j.solener.2024.112418

Data Mining for New Two- and One-Dimensional Weakly Bonded Solids and Lattice-Commensurate Heterostructures

Gowoon Cheon, Karel-Alexander N. Duerloo, Austin D. Sendek, Chase Porter, Yuan Chen and Evan J. Reed

Nano Lett., 2017, 17, 1915
DOI: 10.1021/acs.nanolett.6b05229

Monolayer HfTeSe4: A Promising Two-Dimensional Photovoltaic Material for Solar Cells with High Efficiency

Hongchao Yang, Yandong Ma, Yan Liang, Baibiao Huang and Ying Dai

ACS Appl. Mater. Interfaces, 2019, 11, 37901
DOI: 10.1021/acsami.9b14920

The Bi2Se3–Bi2Te3–BiI3 system: Synthesis and characterization of the BiTe1-xSexI solid solutions

Ziya S. Aliev, Elvin C. Ahmadov, Dunya M. Babanly, Imamaddin R. Amiraslanov and Mahammad B. Babanly

Calphad, 2019, 66, 101650
DOI: 10.1016/j.calphad.2019.101650

Growth of BiSBr Microsheet Arrays for Enhanced Photovoltaics Performance

Sen Li, Zhiyuan Huang, Yafei Ding, Chao Zhang, Jingyan Yu, Qi Feng and Jun Feng

Small, 2024, 20
DOI: 10.1002/smll.202306964

Structural and Chemical Features Giving Rise to Defect Tolerance of Binary Semiconductors

Rachel C. Kurchin, Prashun Gorai, Tonio Buonassisi and Vladan Stevanović

Chem. Mater., 2018, 30, 5583
DOI: 10.1021/acs.chemmater.8b01505