2020

Weng Baicheng, Song Zhilong, Zhu Rilong, Yan Qingyu, Sun Qingde, Grice Corey G., Yan Yanfa, Yin Wan-Jian. “Simple descriptor derived from symbolic regression accelerating the discovery of new perovskite catalysts.” Nat Commun 2020;11(1):1–8. Doi: 10.1038/s41467-020-17263-9.

Huang Yang, Zhang Tao, Wang Jing, Xu Shao-Gang, Zhang Peng, Chen Shiyou, Yin Wan-Jian, Zhang Xiuwen, Wei Su-Huai. “Design of Multifunctional Quinternary Metal-Halide Perovskite Compounds Based on Cation–Anion Co-Ordering.” Chem Mater 2020. Doi: 10.1021/acs.chemmater.0c00674.

Park Ji-Sang, Li Zhenzhu, Wilson Jacob N., Yin Wan-Jian, Walsh Aron. “Hexagonal Stacking Faults Act as Hole-Blocking Layers in Lead Halide Perovskites.” ACS Energy Lett 2020;5(7):2231–3. Doi: 10.1021/acsenergylett.0c01124.

Zhou Hao, Xu Yu, Chen Xiwen, Liu Yi, Cao Bing, Yin Wan-Jian, Wang Chinhua, Xu Ke. “Direct van der Waals epitaxy of stress-free GaN films on PECVD grown graphene.” Journal of Alloys and Compounds 2020;844:155870. Doi: 10.1016/j.jallcom.2020.155870.

Liu Zhongfan, Jia Kaicheng, Ci Haina, Zhang Jincan, Sun Zhongti, Ma Ziteng, Zhu Yeshu, Liu Shengnan, Liu Junling, Sun Luzhao, Liu Xiaoting, Sun Jingyu, Yin Wanjian, Peng Hailin, Lin Li. “Superclean growth of graphene using cold-wall chemical vapor deposition approach.” Angewandte Chemie International Edition n.d.;n/a(n/a). Doi: 10.1002/anie.202005406.

Xia Zhou, Chen Xiwen, Ci Haina, Fan Zhaodi, Yi Yuyang, Yin Wanjian, Wei Nan, Cai Jingsheng, Zhang Yanfeng, Sun Jingyu. “Designing N-doped graphene/ReSe2/Ti3C2 MXene heterostructure frameworks as promising anodes for high-rate potassium-ion batteries.” Journal of Energy Chemistry 2021;53:155–62. Doi: 10.1016/j.jechem.2020.04.071.

Yin Yuan, Wu Yelong, Chen Guangde, Yin Wan-Jian. “Double perovskite Ba2BiTaO6 as a promising p-type transparent conductive oxide: A first-principles defect study.” Journal of Applied Physics 2020;DIS2020(1):175703. Doi: 10.1063/1.5140699@jap.2020.DIS2020.issue-1.

Wang Yong, Chen Gaoyuan, Ouyang Dan, He Xinjun, Li Can, Ma Ruiman, Yin Wan-Jian, Choy Wallace C. H. “High Phase Stability in CsPbI3 Enabled by Pb–I Octahedra Anchors for Efficient Inorganic Perovskite Photovoltaics.” Advanced Materials 2020;32(24). Doi: 10.1002/adma.202000186.

Sun Zhongti, Chen Xiwen, Yin Wanjian. “Comprehensive first-principles studies on phase stability of copper-based halide perovskite derivatives A l Cu m X n (A = Rb and Cs$\mathsemicolon$ X = Cl, Br, and I).” J Semicond 2020;41(5):052201. Doi: 10.1088/1674-4926/41/5/052201.

Jiang Xiaowei, Yin Wan-Jian. “Designing solar-cell absorber materials through computational high-throughput screening.” Chinese Phys B 2020;29(2):028803. Doi: 10.1088/1674-1056/ab6655.

Xiwen Chen, Chen Wang, Zhenzhu Li, Zhufeng Hou, Wan-Jian Yin. “Bayesian Optimization Based on a Unified Figure of Merit for Accelerated Materials Screening: A Case Study of Halide Perovskites.” SCIENCE CHINA Materials 2020. Doi: 10.1007/s40843-019-1255-4.

Li Yanzhou, Jiang Xiaoming, Fu Zhihua, Huang Qingqing, Wang Guan-E., Deng Wei-Hua, Wang Chen, Li Zhenzhu, Yin Wanjian, Chen Banglin, Xu Gang. “Coordination assembly of 2D ordered organic metal chalcogenides with widely tunable electronic band gaps.” Nature Communications 2020;11(1):261–261. Doi: 10.1038/s41467-019-14136-8.

Wang Jing, Li Wei, Yin Wan-Jian. “Passivating Detrimental DX Centers in CH3NH3PbI3 for Reducing Nonradiative Recombination and Elongating Carrier Lifetime.” Advanced Materials 2020:1906115. Doi: 10.1002/adma.201906115.

2019

Lu Chen, Li Zhenzhu, Xia Zhou, Ci Haina, Cai Jingsheng, Song Yingze, Yu Lianghao, Yin Wanjian, Dou Shixue, Sun Jingyu, Liu Zhongfan. “Confining MOF-derived SnSe nanoplatelets in nitrogen-doped graphene cages via direct CVD for durable sodium ion storage.” Nano Research 2019;12(12):3051–8. Doi: 10.1007/s12274-019-2551-0.

Sun Zhongti, Li Zhenzhu, Cheng Guanjian, Xu Qichen, Hou Zhufeng, Yin Wanjian. “Research progress and perspective of machine learning in material design.” Chin Sci Bull 2019;64(32):3270–5. Doi: 10.1360/TB-2019-0456.

Zhu Hugh Lu, Lin Hong, Song Zhilong, Wang Zishuai, Ye Fei, Zhang Hong, Yin Wan-Jian, Yan Yanfa, Choy Wallace C. H. “Achieving High-Quality Sn-Pb Perovskite Films on Complementary Metal-Oxide-Semiconductor-Compatible Metal/Silicon Substrates for Efficient Imaging Array.” Acs Nano 2019;13(10):11800–8. Doi: 10.1021/acsnano.9b05774.

Lin Hong, Mao Jian, Qin Minchao, Song Zhilong, Yin Wanjian, Lu Xinhui, Choy Wallace C. H. “Single-phase alkylammonium cesium lead iodide quasi-2D perovskites for color-tunable and spectrum-stable red LEDs.” Nanoscale 2019;11(36):16907–18. Doi: 10.1039/c9nr02706h.

Xiong Likun, Sun Zhongti, Zhang Xiang, Zhao Liang, Huang Peng, Chen Xiwen, Jin Huidong, Sun Hao, Lian Yuebin, Deng Zhao, Rummerli Mark H., Yin Wanjian, Zhang Duo, Wang Shuao, Peng Yang. “Octahedral gold-silver nanoframes with rich crystalline defects for efficient methanol oxidation manifesting a CO-promoting effect.” Nature Communications 2019;10:3782. Doi: 10.1038/s41467-019-11766-w.

Peng Yujie, Sun Qingde, Chen Hangyan, Yin Wan-Jian. “Disparity of the Nature of the Band Gap between Halide and Chalcogenide Single Perovskites for Solar Cell Absorbers.” Journal of Physical Chemistry Letters 2019;10(16):4566–70. Doi: 10.1021/acs.jpclett.9b01657.

Song Xiuju, Wang Yan, Zhao Fang, Li Qucheng, Ta Huy Quang, Ruemmeli Mark H., Tully Christopher G., Li Zhenzhu, Yin Wan-Jian, Yang Letao, Lee Ki-Bum, Yang Jieun, Bozkurt Ibrahim, Liu Shengwen, Zhang Wenjing, Chhowalla Manish. “Plasmon-Free Surface-Enhanced Raman Spectroscopy Using Metallic 2D Materials.” Acs Nano 2019;13(7):8312–9. Doi: 10.1021/acsnano.9b03761.

Wang Jing, Chen Hangyan, Wei Su-Huai, Yin Wan-Jian. “Materials Design of Solar Cell Absorbers Beyond Perovskites and Conventional Semiconductors via Combining Tetrahedral and Octahedral Coordination.” Advanced Materials 2019;31(17):1806593. Doi: 10.1002/adma.201806593.

Li Zhenzhu, Xu Qichen, Sun Qingde, Hou Zhufeng, Yin Wan-Jian. “Thermodynamic Stability Landscape of Halide Double Perovskites via High-Throughput Computing and Machine Learning.” Advanced Functional Materials 2019;29(9):1807280. Doi: 10.1002/adfm.201807280.

Yin Wan-Jian, Weng Baicheng, Ge Jie, Sun Qingde, Li Zhenzhu, Yan Yanfa. “Oxide perovskites, double perovskites and derivatives for electrocatalysis, photocatalysis, and photovoltaics.” Energy & Environmental Science 2019;12(2):442–62. Doi: 10.1039/c8ee01574k.

Sun Qingde, Chen Hangyan, Yin Wan-Jian. “Do Chalcogenide Double Perovskites Work as Solar Cell Absorbers: A First-Principles Study.” Chemistry of Materials 2019;31(1):244–50. Doi: 10.1021/acs.chemmater.8b04320.

2018

Xu Qichen, Li Zhenzhu, Liu Miao, Yin Wan-Jian. “Rationalizing Perovskite Data for Machine Learning and Materials Design.” Journal of Physical Chemistry Letters 2018;9(24):6948–54. Doi: 10.1021/acs.jpclett.8b03232.

Huo Zhengbao, Wei Su-Huai, Yin Wan-Jian. “High-throughput screening of chalcogenide single perovskites by first-principles calculations for photovoltaics.” Journal of Physics D-Applied Physics 2018;51(47):474003. Doi: 10.1088/1361-6463/aae1ee.

Lu Chen, Li Zhenzhu, Yu Lianghao, Zhang Li, Xia Zhou, Jiang Tao, Yin Wanjian, Dou Shixue, Liu Zhongfan, Sun Jingyu. “Nanostructured Bi2S3 encapsulated within three-dimensional N-doped graphene as active and flexible anodes for sodium-ion batteries.” Nano Research 2018;11(9):4614–26. Doi: 10.1007/s12274-018-2042-8.

Zhang Hong, Ren Xingang, Chen Xiwen, Mao Jian, Cheng Jiaqi, Zhao Yong, Liu Yuhang, Milic Jovana, Yin Wan-Jian, Gratzel Michael, Choy Wallace C. H. “Improving the stability and performance of perovskite solar cells via off-the-shelf post-device ligand treatment.” Energy & Environmental Science 2018;11(8):2253–62. Doi: 10.1039/c8ee00580j.

Shojaei Fazel, Yin Wan-Jian. “Stability Trend of Tilted Perovskites.” Journal of Physical Chemistry C 2018;122(27):15214–9. Doi: 10.1021/acs.jpcc.8b04875.

Li Zhenzhu, Yin Wanjian. “Recent progress in Pb-free stable inorganic double halide perovskites.” J Semicond 2018;39(7):071003. Doi: 10.1088/1674-4926/39/7/071003.

Ta Huy Q., Zhao Liang, Yin Wanjian, Pohl Darius, Rellinghaus Bernd, Gemming Thomas, Trzebicka Barbara, Palisaitis Justinas, Jing Gao, Persson Per O. A., Liu Zhongfan, Bachmatiuk Alicja, Rummeli Mark H. “Single Cr atom catalytic growth of graphene.” Nano Research 2018;11(5):2405–11. Doi: 10.1007/s12274-017-1861-3.

Zhu Hugh Lu, Liang Zhifu, Huo Zhengbao, Ng Wai Kit, Mao Jian, Wong Kam Sing, Yin Wan-Jian, Choy Wallace C. H. “Low-Bandgap Methylammonium-Rubidium Cation Sn-Rich Perovskites for Efficient Ultraviolet-Visible-Near Infrared Photodetectors.” Advanced Functional Materials 2018;28(16):1706068. Doi: 10.1002/adfm.201706068.

Sun Qingde, Wang Jing, Yin Wan-Jian, Yan Yanfa. “Bandgap Engineering of Stable Lead-Free Oxide Double Perovskites for Photovoltaics.” Advanced Materials 2018;30(15):1705901. Doi: 10.1002/adma.201705901.

Ge Jie, Yin Wan-Jian, Yan Yanfa. “Solution-Processed Nb-Substituted BaBiO3 Double Perovskite Thin Films for Photoelectrochemical Water Reduction.” Chemistry of Materials 2018;30(3):1017–31. Doi: 10.1021/acs.chemmater.7b04880.

Huang Yang, Yin Wan-Jian, He Yao. “Intrinsic Point Defects in Inorganic Cesium Lead Iodide Perovskite CsPbI3.” Journal of Physical Chemistry C 2018;122(2):1345–50. Doi: 10.1021/acs.jpcc.7b10045.

2017

Yin Yuan, Huang Yang, Wu Yelong, Chen Guangde, Yin Wan-Jian, Wei Su-Huai, Gong Xingao. “Exploring Emerging Photovoltaic Materials Beyond Perovskite: The Case of Skutterudite.” Chemistry of Materials 2017;29(21):9429–35. Doi: 10.1021/acs.chemmater.7b03507.

Pan Weicheng, Wu Haodi, Luo Jiajun, Deng Zhenzhou, Ge Cong, Chen Chao, Jiang Xiaowei, Yin Wan-Jian, Niu Guangda, Zhu Lujun, Yin Lixiao, Zhou Ying, Xie Qingguo, Ke Xiaoxing, Sui Manling, Tang Jiang. “Cs2AgBiBr6 single-crystal X-ray detectors with a low detection limit.” Nature Photon 2017;11(11):726–32. Doi: 10.1038/s41566-017-0012-4.

Sun Qingde, Yin Wan-Jian. “Thermodynamic Stability Trend of Cubic Perovskites.” Journal of the American Chemical Society 2017;139(42):14905–8. Doi: 10.1021/jacs.7b09379.

Zhao Liang, Ta Huy Q., Dianat Arezoo, Soni Akash, Fediai Artem, Yin Wajian, Gemming Thomas, Trzebicka Barbara, Cuniberti Gianaurelio, Liu Zhongfan, Bachmatiuk Alicja, Rummeli Mark H. “In Situ Electron Driven Carbon Nanopillar-Fullerene Transformation through Cr Atom Mediation.” Nano Letters 2017;17(8):4725–32. Doi: 10.1021/acs.nanolett.7b01406.

Yang Huang, Qing-De Sun, Wen Xu, Yao He, Wan-Jian Yin. “Halide Perovskite Materials for Solar Cells: a Theoretical Review.” Acta Physico-Chimica Sinica 2017;33(9):1730–51. Doi: 10.3866/PKU.WHXB201705042.

Ablekim Tursun, Swain Santosh K., Yin Wan-Jian, Zaunbrecher Katherine, Burst James, Barnes Teresa M., Kuciauskas Darius, Wei Su-Huai, Lynn Kelvin G. “Self-compensation in arsenic doping of CdTe.” Scientific Reports 2017;7:4563. Doi: 10.1038/s41598-017-04719-0.

2016

Yang Ji-Hui, Yin Wan-Jian, Park Ji-Sang, Ma Jie, Wei Su-Huai. “Review on first-principles study of defect properties of CdTe as a solar cell absorber.” Semiconductor Science and Technology 2016;31(8):083002. Doi: 10.1088/0268-1242/31/8/083002.

Liu Kai, Yin Wanjian, Chen Shiyou, Gong X. G., Wei S.-H., Xiang H. J. “Orbital-frustration-induced ordering in semiconductor alloys.” Physical Review B 2016;93(20):205207. Doi: 10.1103/PhysRevB.93.205207.

Yang Ji-Hui, Zhang Yueyu, Yin Wan-Jian, Gong X. G., Yakobson Boris I., Wei Su-Huai. “Two-Dimensional SiS Layers with Promising Electronic and Optoelectronic Properties: Theoretical Prediction.” Nano Letters 2016;16(2):1110–7. Doi: 10.1021/acs.nanolett.5b04341.

Yang Ji-Hui, Yin Wan-Jian, Park Ji-Sang, Metzger Wyatt, Wei Su-Huai. “First-principles study of roles of Cu and Cl in polycrystalline CdTe.” Journal of Applied Physics 2016;119(4):045104. Doi: 10.1063/1.4940722.

Yang Ji-Hui, Yin Wan-Jian, Park Ji-Sang, Wei Su-Huai. “Fast self-diffusion of ions in CH3NH3PbI3: the interstiticaly mechanism versus vacancy-assisted mechanism.” Journal of Materials Chemistry A 2016;4(34):13105–12. Doi: 10.1039/c6ta03599j.

2015

Yang Ji-Hui, Yin Wan-Jian, Park Ji-Sang, Wei Su-Huai. “Self-regulation of charged defect compensation and formation energy pinning in semiconductors.” Scientific Reports 2015;5:16977. Doi: 10.1038/srep16977.

Yin Wan-Jian, Yang Ji-Hui, Zaunbrecher Katherine, Gessert Tim, Barnes Teresa, Yan Yanfa, Wei Su-Huai. “Surface stability and the selection rules of substrate orientation for optimal growth of epitaxial II-VI semiconductors.” Applied Physics Letters 2015;107(14):141607. Doi: 10.1063/1.4932374.

Yang Ji-Hui, Yin Wan-Jian, Park Ji-Sang, Burst James, Metzger Wyatt K., Gessert Tim, Barnes Teresa, Wei Su-Huai. “Enhanced p-type dopability of P and As in CdTe using non-equilibrium thermal processing.” Journal of Applied Physics 2015;118(2):025102. Doi: 10.1063/1.4926748.

Wang Lingfei, Li Yongfeng, Bera Ashok, Ma Chun, Jin Feng, Yuan Kaidi, Yin Wanjian, David Adrian, Chen Wei, Wu Wenbin, Prellier Wilfrid, Wei Suhuai, Wu Tom. “Device Performance of the Mott Insulator LaVO3 as a Photovoltaic Material.” Physical Review Applied 2015;3(6):064015. Doi: 10.1103/PhysRevApplied.3.064015.

Yin Wan-Jian, Chen Hangyan, Shi Tingting, Wei Su-Huai, Yan Yanfa. “Origin of High Electronic Quality in Structurally Disordered CH3NH3PbI3 and the Passivation Effect of Cl and O at Grain Boundaries.” Advanced Electronic Materials 2015;1(6):1500044. Doi: 10.1002/aelm.201500044.

Yan Yanfa, Yin Wan-Jian, Wu Yelong, Shi Tingting, Paudel Naba R., Li Chen, Poplawsky Jonathan, Wang Zhiwei, Moseley John, Guthrey Harvey, Moutinho Helio, Pennycook Stephen J., Al-Jassim Mowafak M. “Physics of grain boundaries in polycrystalline photovoltaic semiconductors.” Journal of Applied Physics 2015;117(11):112807. Doi: 10.1063/1.4913833.

Yin Wan-Jian, Shi Tingting, Yan Yanfa. “Superior Photovoltaic Properties of Lead Halide Perovskites: Insights from First-Principles Theory.” Journal of Physical Chemistry C 2015;119(10):5253–64. Doi: 10.1021/jp512077m.

Shi Tingting, Yin Wan-Jian, Hong Feng, Zhu Kai, Yan Yanfa. “Unipolar self-doping behavior in perovskite CH3NH3PbBr3.” Applied Physics Letters 2015;106(10):103902. Doi: 10.1063/1.4914544.

Wu Yelong, Chen Guangde, Zhu Youzhang, Yin Wan-Jian, Yan Yanfa, Al-Jassim Mowafak, Pennycook Stephen J. “LDA plus U/GGA plus U calculations of structural and electronic properties of CdTe: Dependence on the effective U parameter.” Computational Materials Science 2015;98:18–23. Doi: 10.1016/j.commatsci.2014.10.051.

Yin Wan-Jian, Yang Ji-Hui, Kang Joongoo, Yan Yanfa, Wei Su-Huai. “Halide perovskite materials for solar cells: a theoretical review.” Journal of Materials Chemistry A 2015;3(17):8926–42. Doi: 10.1039/c4ta05033a.

F. Ndione P., Yin W.-J., Zhu K., Wei S.-H., J. Berry J. “Monitoring the stability of organometallic perovskite thin films.” Journal of Materials Chemistry A 2015;3(43):21940–5. Doi: 10.1039/C5TA05693D.

2014

Kim Junho, Yin Wan-Jian, Kang Joongoo, Yan Yanfa, Wei Su-Huai, Al-Jassim Mowafak M. “Creating intermediate bands in ZnTe via co-alloying approach.” Applied Physics Express 2014;7(12):121201. Doi: 10.7567/APEX.7.121201.

Yin Wan-Jian, Yan Yanfa, Wei Su-Huai. “Anomalous Alloy Properties in Mixed Halide Perovskites.” Journal of Physical Chemistry Letters 2014;5(21):3625–31. Doi: 10.1021/jz501896w.

Shi Tingting, Yin Wan-Jian, Yan Yanfa. “Predictions for p-Type CH3NH3PbI3 Perovskites.” Journal of Physical Chemistry C 2014;118(44):25350–4. Doi: 10.1021/jp508328u.

Yan Yanfa, Li Chen, Yu Yelong, Yin Wan-Jian, Wang Zhiwei, Paudel Naba R., Poplawsky Jonathan, Pennycook Timothy J, Metzger Wyatt K, Repins Ingrid, Al-Jassim Mowafak M, Pennycook Stephen J. “Defect Physics in Photovoltaic Materials Revealed by Combined High-Resolution Microscopy and Density-Functional Theory Calculation.” Microsc Microanal 2014;20(S3):514–5. Doi: 10.1017/S1431927614004292.

Yin Wan-Jian, Shi Tingting, Yan Yanfa. “Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance.” Advanced Materials 2014;26(27):4653-+. Doi: 10.1002/adma.201306281.

Li Chen, Wu Yelong, Poplawsky Jonathan, Pennycook Timothy J., Paudel Naba, Yin Wanjian, Haigh Sarah J., Oxley Mark P., Lupini Andrew R., Al-Jassim Mowafak, Pennycook Stephen J., Yan Yanfa. “Grain-Boundary-Enhanced Carrier Collection in CdTe Solar Cells.” Physical Review Letters 2014;112(15):156103. Doi: 10.1103/PhysRevLett.112.156103.

Yin Wan-Jian, Shi Tingting, Yan Yanfa. “Unusual defect physics in CH3NH3PbI3 perovskite solar cell absorber.” Applied Physics Letters 2014;104(6):063903. Doi: 10.1063/1.4864778.

Li Luying, Gan Zhaofeng, McCartney Martha R., Liang Hanshuang, Yu Hongbin, Yin Wan-Jian, Yan Yanfa, Gao Yihua, Wang Jianbo, Smith David J. “Determination of Polarization-Fields Across Polytype Interfaces in InAs Nanopillars.” Advanced Materials 2014;26(7):1052–7. Doi: 10.1002/adma.201304021.

Yin Wan-Jian, Dai Lingling, Zhang Lin, Yang Rong, Li Liwei, Guo Ted, Yan Yanfa. “Stability, transparency, and conductivity of MgxZn1-xO and CdxZn1-xO: Designing optimum transparency conductive oxides.” Journal of Applied Physics 2014;115(2):023707. Doi: 10.1063/1.4861637.

Yin Wan-Jian, Wu Yelong, Wei Su-Huai, Noufi Rommel, Al-Jassim Mowafak M., Yan Yanfa. “Engineering Grain Boundaries in Cu2ZnSnSe4 for Better Cell Performance: A First-Principle Study.” Advanced Energy Materials 2014;4(1):1300712. Doi: 10.1002/aenm.201300712.

2013

Li Chen, Poplawsky Jonathan, Wu Yelong, Lupini Andrew R., Mouti Anas, Leonard Donovan N., Paudel Naba, Jones Kim, Yin Wanjian, Al-Jassim Mowafak, Yan Yanfa, Pennycook Stephen J. “From atomic structure to photovoltaic properties in CdTe solar cells.” Ultramicroscopy 2013;134:113–25. Doi: 10.1016/j.ultramic.2013.06.010.

Shi Tingting, Yin Wan-Jian, Al-Jassim Mowafak, Yan Yanfa. “Structural, electronic, and optical properties of Cu-3-V-VI4 compound semiconductors.” Applied Physics Letters 2013;103(15):152105. Doi: 10.1063/1.4824770.

Li Chen, Wu Yelong, Pennycook Timothy J., Lupini Andrew R., Leonard Donovan N., Yin Wanjian, Paudel Naba, Al-Jassim Mowafak, Yan Yanfa, Pennycook Stephen J. “Carrier Separation at Dislocation Pairs in CdTe.” Physical Review Letters 2013;111(9):096403. Doi: 10.1103/PhysRevLett.111.096403.

Shi Tingting, Yin Wan-Jian, Wu Yelong, Al-Jassim Mowafak, Yan Yanfa. “The structure and properties of (aluminum, oxygen) defect complexes in silicon.” Journal of Applied Physics 2013;114(6):063520. Doi: 10.1063/1.4818515.

Li C., Wu Y., Lupini A. R., Mouti A., Poplawsky J., Yin W., Paudel N., Jassim M. A., Yan Y., Pennycook S. J. “Electrical Activity of Defects in CdTe Solar Cells via Aberration-corrected STEM.” Microscopy and Microanalysis 2013;19(S2):334–5. Doi: 10.1017/S1431927613003668.

Yin Wan-Jian, Wu Yelong, Noufi Rommel, Al-Jassim Mowafak, Yan Yanfa. “Defect segregation at grain boundary and its impact on photovoltaic performance of CuInSe2.” Applied Physics Letters 2013;102(19):193905. Doi: 10.1063/1.4804606.

Yin Wan-Jian, Yan Yanfa. “The electronic properties of point defects in earth-abundant photovoltaic material Zn3P2: A hybrid functional method study.” Journal of Applied Physics 2013;113(1):013708. Doi: 10.1063/1.4772708.

Yin Wan-Jian, Wei Su-Huai, Yan Yanfa. “Control of one-dimensional magnetism in graphene via spontaneous hydrogenation of the grain boundary.” Physical Chemistry Chemical Physics 2013;15(21):8271–5. Doi: 10.1039/c3cp50781e.

2012

Li Yongfeng, Yin Wanjian, Deng Rui, Chen Rui, Chen Jing, Yan Qingyu, Yao Bin, Sun Handong, Wei Su-Huai, Wu Tom. “Realizing a SnO2-based ultraviolet light-emitting diode via breaking the dipole-forbidden rule.” Npg Asia Materials 2012;4:e30. Doi: 10.1038/am.2012.56.

Feng Chunbao, Yin Wan-Jian, Nie Jinlan, Zu Xiaotao, Huda Muhammad N., Wei Su-Huai, Al-Jassim Mowafak M., Yon Yanfa. “Possible effects of oxygen in Te-rich Sigma 3 (112) grain boundaries in CdTe.” Solid State Communications 2012;152(18):1744–7. Doi: 10.1016/j.ssc.2012.05.006.

Schmidt Sebastian S., Abou-Ras Daniel, Sadewasser Sascha, Yin Wanjian, Feng Chunbao, Yan Yanfa. “Electrostatic Potentials at Cu(In,Ga)Se-2 Grain Boundaries: Experiment and Simulations.” Physical Review Letters 2012;109(9):095506. Doi: 10.1103/PhysRevLett.109.095506.

Ban Chunmei, Yin Wan-Jian, Tang Houwen, Wei Su-Huai, Yan Yanfa, Dillon Anne C. “A Novel Codoping Approach for Enhancing the Performance of LiFePO4 Cathodes.” Advanced Energy Materials 2012;2(8):1028–32. Doi: 10.1002/aenm.201200085.

Yin Wan-Jian, Ma Jie, Wei Su-Huai, Al-Jassim Mowafak M., Yan Yanfa. “Comparative study of defect transition energy calculation methods: The case of oxygen vacancy in In2O3 and ZnO.” Physical Review B 2012;86(4):045211. Doi: 10.1103/PhysRevB.86.045211.

Yin Wan-Jian, Wei Su-Huai, Al-Jassim Mowafak M., Yan Yanfa. “Origin of the diverse behavior of oxygen vacancies in ABO(3) perovskites: A symmetry based analysis.” Physical Review B 2012;85(20):201201. Doi: 10.1103/PhysRevB.85.201201.

Feng Chunbao, Yin Wan-Jian, Nie Jinlan, Zu Xiaotao, Huda Muhammad N., Wei Su-Huai, Al-Jassim Mowafak M., Turner John A., Yan Yanfa. “Strong asymmetrical doping properties of spinel CoAl2O4.” Journal of Applied Physics 2012;111(9):093723. Doi: 10.1063/1.4716025.

Tang Houwen, Yin Wan-Jian, Matin M. A., Wang Heli, Deutsch Todd, Al-Jassim Mowafak M., Turner John A., Yan Yanfa. “Titanium and magnesium Co-alloyed hematite thin films for photoelectrochemical water splitting.” Journal of Applied Physics 2012;111(7):073502. Doi: 10.1063/1.3699016.

Li Luying, Jin Lei, Wang Jianbo, Smith David J., Yin Wan-Jian, Yan Yanfa, Sang Hongqian, Choy Wallace C. H., McCartney Martha R. “Polarization-Induced Charge Distribution at Homogeneous Zincblende/Wurtzite Heterostructural Junctions in ZnSe Nanobelts.” Advanced Materials 2012;24(10):1328–32. Doi: 10.1002/adma.201103920.

Feng Chunbao, Yin Wan-Jian, Nie Jinlan, Zu Xiaotao, Huda Muhammad N., Wei Su-Huai, Al-Jassim Mowafak M., Turner John A., Yan Yanfa. “Electronic and optical properties of CoX2O4 (X=Al, Ga, In) alloys.” Applied Physics Letters 2012;100(2):023901. Doi: 10.1063/1.3676039.

2011

Yin Wan-Jian, Wei Su-Huai, Ban Chunmei, Wu Zhuangchun, Al-Jassim Mowafak M., Yan Yanfa. “Origin of Bonding between the SWCNT and the Fe3O4(001) Surface and the Enhanced Electrical Conductivity.” Journal of Physical Chemistry Letters 2011;2(22):2853–8. Doi: 10.1021/jz201277s.

Yin Wan-Jian, Wei Su-Huai, Al-Jassim Mowafak M., Yan Yanfa. “Prediction of the chemical trends of oxygen vacancy levels in binary metal oxides.” Applied Physics Letters 2011;99(14):142109. Doi: 10.1063/1.3647756.

Yin Wan-Jian, Wei Su-Huai, Al-Jassim Mowafak M., Turner John, Yan Yanfa. “Doping properties of monoclinic BiVO4 studied by first-principles density-functional theory.” Physical Review B 2011;83(15):155102. Doi: 10.1103/PhysRevB.83.155102.

Yin Wan-Jian, Wei Su-Huai, Al-Jassim Mowafak M., Yan Yanfa. “Double-Hole-Mediated Coupling of Dopants and Its Impact on Band Gap Engineering in TiO2.” Physical Review Letters 2011;106(6):066801. Doi: 10.1103/PhysRevLett.106.066801.

2010

Yin Wan-Jian, Tang Houwen, Wei Su-Huai, Al-Jassim Mowafak M., Turner John, Yan Yanfa. “Band structure engineering of semiconductors for enhanced photoelectrochemical water splitting: The case of TiO2.” Physical Review B 2010;82(4):045106. Doi: 10.1103/PhysRevB.82.045106.

Yin Wan-Jian, Chen Shiyou, Yang Ji-Hui, Gong Xin-Gao, Yan Yanfa, Wei Su-Huai. “Effective band gap narrowing of anatase TiO2 by strain along a soft crystal direction.” Applied Physics Letters 2010;96(22):221901. Doi: 10.1063/1.3430005.

2009

Chen Shiyou, Yin Wan-Jian, Yang Ji-Hui, Gong X. G., Walsh Aron, Wei Su-Huai. “Quaternary semiconductors with positive crystal field splitting: Potential high-efficiency spin-polarized electron sources.” Applied Physics Letters 2009;95(5):052102. Doi: 10.1063/1.3193662.

Yang Ji-Hui, Chen Shiyou, Yin Wan-Jian, Gong X. G., Walsh Aron, Wei Su-Huai. “Electronic structure and phase stability of MgTe, ZnTe, CdTe, and their alloys in the B3, B4, and B8 structures.” Physical Review B 2009;79(24):245202. Doi: 10.1103/PhysRevB.79.245202.

Li Yong-Hua, Walsh Aron, Chen Shiyou, Yin Wan-Jian, Yang Ji-Hui, Li Jingbo, Da Silva Juarez L. F., Gong X. G., Wei Su-Huai. “Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors.” Applied Physics Letters 2009;94(21):212109. Doi: 10.1063/1.3143626.

Yin Wan-Jian, Gong Xin-Gao. “Hybridized kinetic energy functional for orbital-free density functional method.” Physics Letters A 2009;373(4):480–3. Doi: 10.1016/j.physleta.2008.11.057.

2008

Yin Wan-Jian, Gong Xin-Gao, Wei Su-Huai. “Origin of the unusually large band-gap bowing and the breakdown of the band-edge distribution rule in the SnxGe1-x alloys.” Physical Review B 2008;78(16):161203. Doi: 10.1103/PhysRevB.78.161203.

Yin Wan-Jian, Gu Xiao, Gong Xin-Gao. “Magic number 32 and 90 of metal clusters: A shell jellium model study.” Solid State Communications 2008;147(7–8):323–6. Doi: 10.1016/j.ssc.2008.05.039.