Selected and complete publication record

All-Perovskite Low-Dimensional/Quantum Dot Heterojunctions for Long-Term Efficient Quantum Dot Solar Cells

Jinfei Dai, Wei Guo, Shakeel Abbas, Jianing Duan, Junke Jiang, Zhicheng Lu, Peter Reiss, Zhaoxin Wu, Namyoung Ahn, Kai Xi, Jun Xi

Nano Letters, 2026, 26(34), 11591-11598

An all-perovskite junction between low-dimensional layers and quantum dots improves charge extraction and resistance to humidity in quantum-dot solar cells.

Exploiting the interplay of H2O co-adsorption and O vacancies on a Zr2CO2 MXene for high sensitivity and real-time battery thermal runaway monitoring

Yee Hui Robin Chang, Keat Hoe Yeoh, Chanhyeok Kim, Masato Yoshiya, Boon Tong Goh, Junke Jiang, Mohd Muzamir Mahat, Thong Leng Lim, Siow Hoo Leong, Moi Hua Tuh

Physical Chemistry Chemical Physics, 2026, 28(33), 20382-20397

Investigates how water co-adsorption and oxygen vacancies affect gas sensing on Zr2CO2 MXene, with battery thermal-runaway detection as the target application.

Constructing density functional tight-binding parameters for electronic structure modeling of lead-bromide perovskites, perovskitoids, and related structures

Junke Jiang, Tammo van der Heide, Simon Thébaud, Carlos Raúl Lien-Medrano, Arnaud Fihey, Laurent Pedesseau, Claudio Quarti, Marios Zacharias, George Volonakis, Mikael Kepenekian, Bálint Aradi, Michael A. Sentef, Jacky Even, Claudine Katan

The Journal of Chemical Physics, 2026, 165(2), 024117

Develops electronic DFTB parameters for lead-bromide perovskites and examines their transferability to mixed-halide compositions and structurally related low-dimensional materials.

Thickness-engineered GaN enables enhanced photovoltaic performance in Janus MoSSe/GaN heterostructure

Yee Hui Robin Chang, Keat Hoe Yeoh, Chanhyeok Kim, Masato Yoshiya, Wan Izhan Nawawi Wan Ismail, Yuto Yamada, Boon Tong Goh, Junke Jiang, Soo See Chai, Norhasnan Sahari, Moi Hua Tuh

Surfaces and Interfaces, 2026, 89, 109169

First-principles calculations and photovoltaic models examine how GaN layer thickness changes band alignment, interfacial polarization, and predicted solar-cell performance in Janus MoSSe/GaN heterostructures.

Structurally compatible InN/SiP vdW heterostructure with enhanced charge separation and stable H2O adsorption for efficient Z-scheme photocatalysis

Yee Hui Robin Chang, Keat Hoe Yeoh, Chanhyeok Kim, Masato Yoshiya, Wan Izhan Nawawi Wan Ismail, Boon Tong Goh, Junke Jiang, Moi Hua Tuh, Yuto Yamada

Surfaces and Interfaces, 2026, 86, 108728

First-principles calculations assess stacking stability, interfacial charge transfer, and water-splitting energetics in InN/SiP heterostructures proposed for Z-scheme photocatalysis.

Structure and Device-Operando Photostability of Quasi-2D Ruddlesden–Popper Perovskites: Engineering the Spacer Cation Matters

Jianing Duan, Junke Jiang, Unsoo Kim, Jong Woo Lee, Yingguo Yang, Mansoo Choi, Zhaoxin Wu, Jun Xi

ACS Energy Letters, 2026, 11(2), 1714-1723

Studies layered or mixed-dimensional perovskites relevant to stability and optoelectronic performance.

Bidentate Pyridine Passivators Attaching Trifluoromethyl Substitute Groups in Varied Positions for Efficient Carbon-Based Perovskite Solar Cells

Mengqi Geng, Junke Jiang, Xinrui Ma, Jialiang Li, Ke Wang, Le Jiang, Dan Lu, Bin Li, Yu Gu, Tingting Xu

ACS Applied Materials & Interfaces, 2025, 17(47), 64645-64654

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Reversible Hydrogen Storage via Na-Decorated Group III Nitride Naphthylene Analog: Toward Practical Desorption and Elemental Sustainability

Yee Hui Robin Chang, Chanhyeok Kim, Keat Hoe Yeoh, Masato Yoshiya, Wan Izhan Nawawi Wan Ismail, Junke Jiang, Boon Tong Goh, Heng Yen Khong, Siow Hoo Leong, Moi Hua Tuh

ACS Applied Energy Materials, 2025, 8(21), 16265-16276

First-principles and thermodynamic calculations assess hydrogen adsorption and release in sodium-decorated group-III nitride monolayers, considering storage density and operating conditions.

Unlocking a near 1 eV direct band gap, lattice-matched InN–As heterostructure with moist resistance for enhanced optoelectronic applications

Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Moi Hua Tuh, Qiuhua Liang

Physical Chemistry Chemical Physics, 2025, 27(32), 16842-16852

First-principles calculations explore stacking-dependent electronic structure, carrier transport, and light absorption in lattice-matched InN–arsenene heterostructures.

Evidence of the As/PtSe2 Heterostructure with a Robust Built-In Electric Field as a Competitive Z-Scheme Photocatalyst for Overall Water Splitting

Yee Hui Robin Chang, Masato Yoshiya, Keat Hoe Yeoh, Wan Izhan Nawawi Wan Ismail, Junke Jiang, Chanhyeok Kim, Kaiyuan Yao, Moi Hua Tuh

The Journal of Physical Chemistry C, 2025, 129(12), 6049-6058

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Flexible and efficient semiempirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures

Junke Jiang, Tammo van der Heide, Simon Thébaud, Carlos Raúl Lien-Medrano, Arnaud Fihey, Laurent Pedesseau, Claudio Quarti, Marios Zacharias, George Volonakis, Mikael Kepenekian, others

Physical Review Materials, 2025, 9(2), 023803

Develops or applies efficient semiempirical electronic-structure methods for perovskite and heterostructure simulations.

Activating the Screened Thermoelectric and Photocatalytic Water-Splitting Potential in Janus Sn2XY (X$ne$ Y= Te, Se, and S) Monolayers via Doping and Strain Engineering

Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Soo See Chai, Qiuhua Liang, Moi Hua Tuh, Siow Hoo Leong, Thong Leng Lim, Lay Chen Low, Yik Seng Yong

The Journal of Physical Chemistry C, 2025

Computationally studies catalyst or photocatalyst design for energy-related reactions.

Unlocking the porous, anomalous narrow band gap inorganic graphenylene-like CuO monolayer with post oxidation advantage for thermophotovoltaic and solar cell

Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Ishak Annuar, Moi Hua Tuh, Siow Hoo Leong, Thong Leng Lim, Lay Chen Low, Yik Seng Yong

Surfaces and Interfaces, 2025, 56, 105588

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Electronic coupling between perovskite nanocrystal and fullerene modulates hot carrier capture

Yusheng Li, Junke Jiang, Dandan Wang, Dong Liu, Shota Yajima, Hua Li, Akihito Fuchimoto, Hongshi Li, Guozheng Shi, Shuzi Hayase, others

Advanced Functional Materials, 2024, 2415735

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

On-Off Switching of Singlet Self-Trapped Exciton Emission Endows Antimony-Doped Indium Halides with Excitation-Wavelength-Dependent Luminescence

Xinyu Yang, Hongyuan Zhao, Ziying Wen, Yunfei Bai, Qichao Meng, Haibo Sun, Xihong Ding, Junke Jiang, Dan Huang, William W Yu, others

Small, 2025, 21(1), 2407892

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Organic-Inorganic Hybrid Cuprous-Based Metal Halides with Unique Two-Dimensional Crystal Structure for White Light-Emitting Diodes

Xuan Meng, Junke Jiang, Xinyu Yang, Hongyuan Zhao, Qichao Meng, Yunfei Bai, Qiujie Wang, Jitao Song, Claudine Katan, Jacky Even, others

Angewandte Chemie, 2024, e202411047

Studies layered or mixed-dimensional perovskites relevant to stability and optoelectronic performance.

From Dopant to Host: Solution Synthesis and Light-Emitting Applications of Organic-Inorganic Lanthanide-Based Metal Halides

Tianxin Bai, Qiujie Wang, Yunfei Bai, Qichao Meng, Hongyuan Zhao, Ziying Wen, Haibo Sun, Li Huang, Junke Jiang, Dan Huang, others

Small Structures, 2024, 5(7), 2400096

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Adsorption and reversible detection of toxic halogens gases at room temperature by two-dimensional Al2SSe for occupational sustainability

Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Hung Wei Yu, Edward Yi Chang, Chang Fu Dee, Moi Hua Tuh

Materials Today Communications, 2024, 39, 108623

Studies layered or mixed-dimensional perovskites relevant to stability and optoelectronic performance.

Highly Luminescent Phase-Stable Hybrid Manganese Halides for Efficient X-ray Imaging

Sujun Ji, Yihang Liu, Yulong Wang, Hongyuan Zhao, Qiujie Wang, Qichao Meng, Yunfei Bai, Junke Jiang, Qing Shen, Feng Liu

Crystal Growth & Design, 2024, 24(5), 2094-2103

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Computational Screening of a Single-Atom Catalyst Supported by Monolayer Nb2S2C for Oxygen Reduction Reaction

KH Yeoh, YHR Chang, K-H Chew, J Jiang, Tiem Leong Yoon, Duu Sheng Ong, BT Goh

Langmuir, 2024, 40(7), 3569-3576

Computationally studies catalyst or photocatalyst design for energy-related reactions.

The Role of the Organic Cation in Developing Efficient Green Perovskite LEDs Based on Quasi-2D Perovskite Heterostructures

Alexandra J Ramadan, Woo Hyeon Jeong, Robert DJ Oliver, Junke Jiang, Akash Dasgupta, Zhongcheng Yuan, Joel Smith, Jae Eun Lee, Silvia G Motti, Olivia Gough, others

Advanced Functional Materials, 2024, 34(14), 2309653

Studies layered or mixed-dimensional perovskites relevant to stability and optoelectronic performance.

Scale-up Solutions of 2D Perovskite Photovoltaics: Insights of Multiscale Structures

Junke Jiang, Jiaxue You, Shengzhong Frank Liu, Jun Xi

ACS Energy Letters, 2023, 9(1), 17-29

Studies layered or mixed-dimensional perovskites relevant to stability and optoelectronic performance.

Excitation Wavelength-Dependent Fluorescence of a Lanthanide Organic Metal Halide Cluster for Anti-Counterfeiting Applications

Hongyuan Zhao, Qiujie Wang, Ziying Wen, Haibo Sun, Sujun Ji, Xuan Meng, Ruiling Zhang, Junke Jiang, Zhe Tang, Feng Liu

Angewandte Chemie International Edition, 2023, 62(52), e202316336

Examines structure-property relationships in metal-halide perovskite materials.

Moisture-Insensitive, Phase-Stable Indium-Based Metal Halides and Their Light-Emitting Applications

Zhe Tang, Xuan Meng, Hongyuan Zhao, Sujun Ji, Qiujie Wang, Tianxin Bai, Ruiling Zhang, Junke Jiang, Claudine Katan, Jacky Even, others

Advanced Optical Materials, 2023, 2301282

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Forecasting the unrevealed surface-controlled photocatalytic water splitting in two-dimensional Ag 2 Se with ultrafast carrier mobility: a first-principles study

Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Soo See Chai, Yusuf Zuntu Abdullahi, Heng Yen Khong, Thong Leng Lim, Moi Hua Tuh

Catalysis Science & Technology, 2023, 13(16), 4813-4822

Studies layered or mixed-dimensional perovskites relevant to stability and optoelectronic performance.

On the mechanism of solvents catalyzed structural transformation in metal halide perovskites

Jun Xi, Junke Jiang, Herman Duim, Lijun Chen, Jiaxue You, Giuseppe Portale, Shengzhong Liu, Shuxia Tao, Maria Antonietta Loi

Advanced Materials, 2023, 35(33), 2302896

Uses atomistic simulation to examine formation, phase behavior, or solvent effects in metal-halide perovskites.

Multifunctional Additive CdAc2 for Efficient Perovskite-Based Solar Cells

Ningyu Ren, Pengyang Wang, Junke Jiang, Renjie Li, Wei Han, Jingjing Liu, Zhao Zhu, Bingbing Chen, Qiaojing Xu, Tiantian Li, others

Advanced Materials, 2023, 35(32), 2211806

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Strain-Induced SiP--PtS2 Heterostructure with Fast Carrier Transport for Boosted Photocatalytic Hydrogen Conversion

Yee Hui Robin Chang, Kaiyuan Yao, Keat Hoe Yeoh, Masato Yoshiya, Junke Jiang, Moi Hua Tuh, Heng Yen Khong, Thong Leng Lim

The Journal of Physical Chemistry C, 2023, 127(26), 12760-12769

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Structural Isomer of Fluorinated Ruddlesden-Popper Perovskites Toward Efficient and Stable 2D/3D Perovskite Solar Cells

Junseop Byeon, Seong Ho Cho, Junke Jiang, Jihun Jang, Claudine Katan, Jacky Even, Jun Xi, Mansoo Choi, Yun Seog Lee

ACS Applied Materials & Interfaces, 2023, 15(23), 27853-27864

Studies layered or mixed-dimensional perovskites relevant to stability and optoelectronic performance.

Ultraviolet Emission from Cerium-Based Organic-Inorganic Hybrid Halides and Their Abnormal Anti-Thermal Quenching Behavior

Qiujie Wang, Tianxin Bai, Sujun Ji, Hongyuan Zhao, Xuan Meng, Ruiling Zhang, Junke Jiang, Feng Liu

Advanced Functional Materials, 2023, 33(34), 2303399

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Achieving type-II SnSSe/as van der waals heterostructure with satisfactory oxygen tolerance for optoelectronic and photovoltaic applications

Yee Hui Robin Chang, Junke Jiang, Keat Hoe Yeoh, Yusuf Zuntu Abdullahi, Heng Yen Khong, Moi Hua Tuh, Fui Kiew Liew, Yit Lian Liew

Journal of Solid State Chemistry, 2023, 321, 123925

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Prediction of stable silver selenide-based energy materials sustained by rubidium selenide alloying

Yee Hui Robin Chang, Junke Jiang, Keat Hoe Yeoh, Moi Hua Tuh, Fei Ha Chiew

New Journal of Chemistry, 2022, 46(46), 22050-22063

Silver selenide (Ag 2 Se) is a ductile material with a low lattice thermal conductivity that can be a valuable substitute for both PbSe and Bi 2 Se 3 for Pb toxicity free and Bi scarcity.

Colloidal synthesis of size-confined CsAgCl 2 nanocrystals: Implications for electroluminescence applications

Sujun Ji, Xuan Meng, Xiaochen Wang, Tianxin Bai, Ruiling Zhang, Bin Yang, Keli Han, Junke Jiang, Feng Liu

Materials Chemistry Frontiers, 2022, 6(24), 3669-3677

A facile EuCl 3 -based route to CsAgCl 2 nanocrystals with tunable particle size was proposed.

Boosting the solar conversion efficiency of MoSe2/PtX2 (X= O, S) vdW heterostructure by strain and electric field engineering

Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Heng Yen Khong, Mohd Muzamir Mahat, Soo See Chai, Fui Kiew Liew, Moi Hua Tuh

Physica Scripta, 2022, 97(11), 115801

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Constructing trifunctional MoTe 2/As van der Waals heterostructures for versatile energy applications

Yee Hui Robin Chang, Keat Hoe Yeoh, Junke Jiang, Thong Leng Lim, Yik Seng Yong, Lay Chen Low, Moi Hua Tuh

New Journal of Chemistry, 2022, 46(42), 20172-20181

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Filling chlorine vacancy with bromine: A two-step hot-injection approach achieving defect-free hybrid halogen perovskite nanocrystals

Xiaochen Wang, Tianxin Bai, Xuan Meng, Sujun Ji, Ruiling Zhang, Daoyuan Zheng, Bin Yang, Junke Jiang, Ke-li Han, Feng Liu

ACS Applied Materials & Interfaces, 2022, 14(41), 46857-46865

Examines structure-property relationships in metal-halide perovskite materials.

Organic--Inorganic Hybrid Cuprous-Based Metal Halides for Warm White Light-Emitting Diodes

Xuan Meng, Sujun Ji, Qiujie Wang, Xiaochen Wang, Tianxin Bai, Ruiling Zhang, Bin Yang, Yimeng Li, Zhipeng Shao, Junke Jiang, others

Advanced Science, 2022, 9(31), 2203596

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Improved Thermoelectric--Photovoltaic Performance of Ag2Se Originating from a Halogenation-Induced Wider Band Gap and Low Crystal Symmetry

Yee Hui Robin Chang, Junke Jiang, Keat Hoe Yeoh, Heng Yen Khong, Mohd Muzamir Mahat, Soo See Chai, Ismail Saad, Moi Hua Tuh

ACS Applied Energy Materials, 2022, 5(5), 6019-6031

Analyzes electronic, optical, or band-structure properties using computational materials methods.

Germanium Halides Serving as Ideal Precursors: Designing a More Effective and Less Toxic Route to High-Optoelectronic-Quality Metal Halide Perovskite Nanocrystals

Xiaochen Wang, Tianxin Bai, Bin Yang, Ruiling Zhang, Daoyuan Zheng, Junke Jiang, Shuxia Tao, Feng Liu, Ke-li Han

Nano Letters, 2022, 22(2), 636-643

Examines structure-property relationships in metal-halide perovskite materials.

The role of solvents in the formation of methylammonium lead triiodide perovskite

Junke Jiang, José Manuel Vicent-Luna, Shuxia Tao

Journal of Energy Chemistry, 2022, 68, 393-400

Uses atomistic simulation to examine formation, phase behavior, or solvent effects in metal-halide perovskites.

Effect of Co-Solvents on the Crystallization and Phase Distribution of Mixed-Dimensional Perovskites (Adv. Energy Mater. 42/2021)

Alessandro Caiazzo, Kunal Datta, Junke Jiang, Marı́a C Gélvez-Rueda, Junyu Li, Riccardo Ollearo, José Manuel Vicent-Luna, Shuxia Tao, Ferdinand C Grozema, Martijn M Wienk, others

Advanced Energy Materials, 2021, 11(42), 2170168

Uses atomistic simulation to examine formation, phase behavior, or solvent effects in metal-halide perovskites.

Multifunctional molecule engineered SnO2 for perovskite solar cells with high efficiency and reduced lead leakage

Jiali Zhang, Renjie Li, Sofia Apergi, Pengyang Wang, Biao Shi, Junke Jiang, Ningyu Ren, Wei Han, Qian Huang, Geert Brocks, others

Solar RRL, 2021, 5(10), 2100464

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Stretchable AgX (X= Se, Te) for Efficient Thermoelectrics and Photovoltaics

Yee Hui Robin Chang, Junke Jiang, Heng Yen Khong, Ismail Saad, Soo See Chai, Mohd Muzamir Mahat, Shuxia Tao

ACS Applied Materials & Interfaces, 2021, 13(21), 25121-25136

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Ultra-Halide-Rich Synthesis of Stable Pure Tin-Based Halide Perovskite Quantum Dots: Implications for Photovoltaics

Feng Liu, Junke Jiang, Taro Toyoda, Muhammad Akmal Kamarudin, Shuzi Hayase, Ruixiang Wang, Shuxia Tao, Qing Shen

ACS Applied Nano Materials, 2021, 4(4), 3958-3968

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

The role of sodium in stabilizing tin-lead (Sn-Pb) alloyed perovskite quantum dots

Junke Jiang, Feng Liu, Qing Shen, Shuxia Tao

Journal of Materials Chemistry A, 2021, 9(20), 12087-12098

Examines structure-property relationships in metal-halide perovskite materials.

Atomistic and Electronic Origin of Phase Instability of Metal Halide Perovskites

Junke Jiang, Feng Liu, Ionut Tranca, Qing Shen, Shuxia Tao

ACS Applied Energy Materials, 2020, 3(12), 11548-11558

Examines structure-property relationships in metal-halide perovskite materials.

Alkali-cation-enhanced benzylammonium passivation for efficient and stable perovskite solar cells fabricated through sequential deposition

Jie Cao, Junke Jiang, Nan Li, Yifan Dong, Yongheng Jia, Shuxia Tao, Ni Zhao

Journal of Materials Chemistry A, 2020, 8(37), 19357-19366

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Microscopic Degradation in Formamidinium-Cesium Lead Iodide Perovskite Solar Cells under Operational Stressors

Nengxu Li, Yanqi Luo, Zehua Chen, Xiuxiu Niu, Xiao Zhang, Jiuzhou Lu, Rishi Kumar, Junke Jiang, Huifen Liu, Xiao Guo, others

Joule, 2020, 4(8), 1743-1758

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

The Impacts and Origins of A-site Instability in Formamidinium-Cesium Lead Iodide Perovskite Solar Cells Under Extended Operation

Yanqi Luo, Nengxu Li, Zehua Chen, Xiuxiu Niu, Rishi E Kumar, Junke Jiang, Huifen Liu, Oi Chen, Barry Lai, Geert Brocks, others

2020 47th IEEE Photovoltaic Specialists Conference (PVSC), 0626-0628

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Near-Infrared Emission from Tin--Lead (Sn--Pb) Alloyed Perovskite Quantum Dots by Sodium Doping

Feng Liu, Junke Jiang, Yaohong Zhang, Chao Ding, Taro Toyoda, Shuzi Hayase, Ruixiang Wang, Shuxia Tao, Qing Shen

Angewandte Chemie, 2020, 132(22), 8499-8502

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Absolute energy level positions in tin-and lead-based halide perovskites

S Tao, I Schmidt, G Brocks, J Jiang, I Tranca, K Meerholz, S Olthof

2019

Examines structure-property relationships in metal-halide perovskite materials.

GeI2 Additive for High Optoelectronic Quality CsPbI3 Quantum Dots and Their Application in Photovoltaic Devices

Feng Liu, Chao Ding, Yaohong Zhang, Taichi Kamisaka, Qian Zhao, Joseph M Luther, Taro Toyoda, Shuzi Hayase, Takashi Minemoto, Kenji Yoshino, others

Chemistry of Materials, 2019, 31(3), 798-807

Investigates metal-halide perovskite materials for photovoltaic, light-emitting, or related optoelectronic applications.

Partially replacing Pb2+ by Mn2+ in hybrid metal halide perovskites: Structural and electronic properties

Davide Bartesaghi, Aniruddha Ray, Junke Jiang, Ricardo KM Bouwer, Shuxia Tao, Tom J Savenije

APL Materials, 2018, 6(12), 121106

Examines structure-property relationships in metal-halide perovskite materials.

Stabilizing lead-free all-inorganic tin halide Perovskites by ion exchange

Junke Jiang, Chidozie K Onwudinanti, Ross A Hatton, Peter A Bobbert, Shuxia Tao

The Journal of Physical Chemistry C, 2018, 122(31), 17660-17667

Examines structure-property relationships in metal-halide perovskite materials.

Tunable electronic properties of silicene/GaP heterobilayer: Effects of electric field or biaxial tensile strain

Peng Zhang, Xibin Yang, Wei Wu, Lifen Tian, Heping Cui, Kai Zheng, Junke Jiang, Xianping Chen, Huaiyu Ye

Chemical Physics Letters, 2018, 700, 114-121

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Novel GaN-based nanocomposites: Effective band structure and optical property tuning by tensile strain or external field

Ruishen Meng, Xiang Sun, Junke Jiang, Qiuhua Liang, Qun Yang, Xianping Chen

Applied Surface Science, 2018, 427, 554-562

Analyzes electronic, optical, or band-structure properties using computational materials methods.

First principle design of CdS/germanene heterostructures with tunable electronic and transport properties

Kai Zheng, Huaiyu Ye, Guoqi Zhang, Yingying Zhang, Lian Liu, Junke Jiang, Qun Yang, Chunjian Tan, Xianping Chen

2017 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE), 1-6

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Electrical and optical properties of NO and H 2 S adsorption on Arsenic Phosphorus

Yingying Zhang, Kai Zheng, Xianping Chen, Guoqi Zhang, Chunjian Tan, Qun Yang, Junke Jiang, Huaiyu Ye, others

2017 18th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems (EuroSimE), 1-6

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

Adsorption of gas molecules on graphene-like InN monolayer: A first-principle study

Xiang Sun, Qun Yang, Ruishen Meng, Chunjian Tan, Qiuhua Liang, Junke Jiang, Huaiyu Ye, Xianping Chen

Applied Surface Science, 2017, 404, 291-299

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

First-principles approach to design and evaluation of graphene as methane sensors

Daoguo Yang, Ning Yang, Jiaming Ni, Jing Xiao, Junke Jiang, Qiuhua Liang, Tianling Ren, Xianping Chen

Materials & Design, 2017, 119, 397-405

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

Exploration of new ferromagnetic, semiconducting and biocompatible Nb 3 X 8 (X= Cl, Br or I) monolayers with considerable visible and infrared light absorption

Junke Jiang, Qiuhua Liang, Ruishen Meng, Qun Yang, Chunjian Tan, Xiang Sun, Xianping Chen

Nanoscale, 2017, 9(9), 2992-3001

The intriguing electronic and optical properties modulation of hydrogen and fluorine codecorated silicene layers

Qun Yang, Chunjian Tan, Ruishen Meng, Junke Jiang, Qiuhua Liang, Xiang Sun, Daoguo Yang, Xianping Chen

Applied surface science, 2017, 398, 73-80

Analyzes electronic, optical, or band-structure properties using computational materials methods.

First principles investigation of small molecules adsorption on antimonene

Rui-Shen Meng, Miao Cai, Jun-Ke Jiang, Qiu-Hua Liang, Xiang Sun, Qun Yang, Chun-Jian Tan, Xian-Ping Chen

IEEE Electron Device Letters, 2017, 38(1), 134-137

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

AlN/BP heterostructure photocatalyst for water splitting

Qun Yang, Chun-Jian Tan, Rui-Shen Meng, Jun-Ke Jiang, Qiu-Hua Liang, Xiang Sun, Dao-Guo Yang, Xian-Ping Chen

IEEE Electron Device Letters, 2016, 38(1), 145-148

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Design of graphene-like gallium nitride and WS 2/WSe 2 nanocomposites for photocatalyst applications

Ruishen Meng, Junke Jiang, Qiuhua Liang, Qun Yang, Chunjian Tan, Xiang Sun, Xianping Chen

Science China Materials, 2016, 59, 1027-1036

Computationally studies catalyst or photocatalyst design for energy-related reactions.

Graphane/fully hydrogenated h-BN bilayer: Marvellous dihydrogen bonding and effective band structure engineering

Junke Jiang, Qiuhua Liang, Xiang Sun, Xianping Chen

2016 17th International Conference on Electronic Packaging Technology (ICEPT), 730-735

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

First-principles study of gas adsorption on indium nitride monolayer as gas sensor applications

Xiang Sun, Yiping Huang, Junke Jiang, Qiuhua Liang, Ruishen Meng, Chunjian Tan, Qun Yang, Xanping Chen

2016 17th International Conference on Electronic Packaging Technology (ICEPT), 767-770

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

Electronic properties and work functions of silicane/fully hydrogenated h-BN and silicane/graphane nanosheets

Qiuhua Liang, Junke Jiang, Xiang Sun, Xianping Chen

2016 17th International Conference on Electronic Packaging Technology (ICEPT), 636-641

Analyzes electronic, optical, or band-structure properties using computational materials methods.

SiGe/h-BN heterostructure with inspired electronic and optical properties: a first-principles study

Xianping Chen, Xiang Sun, DG Yang, Ruishen Meng, Chunjian Tan, Qun Yang, Qiuhua Liang, Junke Jiang

Journal of Materials Chemistry C, 2016, 4(42), 10082-10089

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

The Influence of Tensile Stress on Polyaniline as Strain Sensor

Jun-Ke Jiang, Qiu-Hua Liang, Rui-Shen Meng, Qun Yang, Xiang Sun, Dao-Guo Yang, Guo-Qi Zhang, Xian-Ping Chen

IEEE Electron Device Letters, 2016, 37(12), 1636-1638

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

Electrical and optical properties of germanene on single-layer BeO substrate

Xianping Chen, Xiang Sun, Junke Jiang, Qiuhua Liang, Qun Yang, Ruishen Meng

The Journal of Physical Chemistry C, 2016, 120(36), 20350-20356

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Tuning the electronic and optical properties of graphane/silicane and fhBN/silicane nanosheets via interfacial dihydrogen bonding and electrical field control

Junke Jiang, Qiuhua Liang, Shengli Zhang, Ruishen Meng, Chunjian Tan, Qun Yang, Xiang Sun, Huaiyu Ye, Xianping Chen

Journal of Materials Chemistry C, 2016, 4(38), 8962-8972

Analyzes electronic, optical, or band-structure properties using computational materials methods.

An AlAs/germanene heterostructure with tunable electronic and optical properties via external electric field and strain

Chunjian Tan, Qun Yang, Ruishen Meng, Qiuhua Liang, Junke Jiang, Xiang Sun, Huaiyu Ye, Xianping Chen

Journal of Materials Chemistry C, 2016

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Tunable electronic structure and enhanced optical properties in quasi-metallic hydrogenated/fluorinated SiC heterobilayer

Xianping Chen, Junke Jiang, Qiuhua Liang, Ruishen Meng, Chunjian Tan, Qun Yang, Shengli Zhang, Haibo Zeng

Journal of Materials Chemistry C, 2016, 4(31), 7406-7414

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

The electronic and optical properties of silicene/g-ZnS heterobilayers: a theoretical study

Xianping Chen, Junke Jiang, Qiuhua Liang, Ruishen Meng, Chunjian Tan, Qun Yang, Xiang Sun

Journal of Materials Chemistry C, 2016, 4(29), 7004-7012

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Ab initio study of the adsorption of small molecules on stanene

Xianping Chen, Chunjian Tan, Qun Yang, Ruishen Meng, Qiuhua Liang, Miao Cai, Shengli Zhang, Junke Jiang

The Journal of Physical Chemistry C, 2016, 120(26), 13987-13994

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

Tuning the electronic properties and work functions of graphane/fully hydrogenated h-BN heterobilayers via heteronuclear dihydrogen bonding and electric field control

Qiuhua Liang, Junke Jiang, Ruishen Meng, Huaiyu Ye, Chunjian Tan, Qun Yang, Xiang Sun, Daoguo Yang, Xianping Chen

Physical Chemistry Chemical Physics, 2016, 18(24), 16386-16395

Explores how interfaces or heterostructures affect electronic, optical, or energy-conversion behavior.

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide

Xianping Chen, Chunjian Tan, Qun Yang, Ruishen Meng, Qiuhua Liang, Junke Jiang, Xiang Sun, DQ Yang, Tianling Ren

Physical Chemistry Chemical Physics, 2016, 18(24), 16229-16236

Development of nanoelectronics requires two-dimensional (2D) systems with both direct-bandgap and tunable electronic properties as they act in response to the external electric field ( E -field).

Sorption and diffusion of water vapor and carbon dioxide in sulfonated polyaniline as chemical sensing materials

Qiuhua Liang, Junke Jiang, Huaiyu Ye, Ning Yang, Miao Cai, Jing Xiao, Xianping Chen

Sensors, 2016, 16(5), 606

Computationally studies catalyst or photocatalyst design for energy-related reactions.

First-principles study of sulfur dioxide sensor based on phosphorenes

Qun Yang, Rui-Shen Meng, Jun-Ke Jiang, Qiu-Hua Liang, Chun-Jian Tan, Miao Cai, Xiang Sun, Dao-Guo Yang, Tian-Ling Ren, Xian-Ping Chen

IEEE Electron Device Letters, 2016, 37(5), 660-662

Computationally studies catalyst or photocatalyst design for energy-related reactions.

Functionalization-induced changes in the structural and physical properties of amorphous polyaniline: a first-principles and molecular dynamics study

XP Chen, QH Liang, JK Jiang, Cell KY Wong, Stanley YY Leung, HY Ye, DG Yang, TL Ren

Scientific reports, 2016, 6, 20621

Models structure-property relationships in polyaniline and related sensing materials.

First-principles study of the effect of functional groups on polyaniline backbone

XP Chen, JK Jiang, QH Liang, N Yang, HY Ye, M Cai, L Shen, DG Yang, TL Ren

Scientific reports, 2015, 5, 16907

Models structure-property relationships in polyaniline and related sensing materials.

Molecular modeling design of polyaniline as carbon dioxide sensor

Qiuhua Liang, Junke Jiang, Xiang Sun, Miao Cai, Yiping Huang, Daoguo Yang, Xianping Chen, Tianling Ren

2015 16th International Conference on Electronic Packaging Technology (ICEPT), 148-152

Computationally studies catalyst or photocatalyst design for energy-related reactions.

Gas adsorption on graphene with different layers: A first-principles study

Jiaming Ni, Ning Yang, Qiuhua Liang, Junke Jiang, Ruishen Meng, Yiping Huang, Xianping Chen

2015 16th International Conference on Electronic Packaging Technology (ICEPT), 989-993

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.

Ab initio studies of the differences in the chemical reactivity and electronic properties of polyaniline and its derivatives

Junke Jiang, Qiuhua Liang, Chunjian Tan, Miao Cai, Yiping Huang, Daoguo Yang, Xianping Chen, Tianling Ren

2015 16th International Conference on Electronic Packaging Technology (ICEPT), 964-968

Models structure-property relationships in polyaniline and related sensing materials.

Ab InitioStudy of Temperature, Humidity, and Covalent Functionalization-Induced Bandgap Change of Single-Walled Carbon Nanotubes

Xian-Ping Chen, Ning Yang, Jun-Ke Jiang, Qiu-Hua Liang, Dao-Guo Yang, Guo-Qi Zhang, Tian-Ling Ren

IEEE Electron Device Letters, 2015, 36(6), 606-608

Analyzes electronic, optical, or band-structure properties using computational materials methods.

Molecular Modeling of pH-Dependent Properties of Emeraldine Base Polyaniline for pH-Based Chemical Sensors

Xianping Chen, Cell KY Wong, Tianling Ren, Daoguo Yang, Junke Jiang, Qiuhua Liang, Guoqi Zhang

Molecular Modeling and Multiscaling Issues for Electronic Material Applications: Volume 2, 2015, 1-18

Uses atomistic modelling to examine adsorption or sensing behavior in low-dimensional materials.