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2019

  • [101]

    “Cr-Dopant Induced Breaking of Scaling Relations in CoFe Layered Double Hydroxides for Improvement of Oxygen Evolution Reaction”, Lulu Wen, Xilin Zhang, Jieyu Liu, Xinyang Li, Changchang Xing, Xianjun Lyu, Weiping Cai, Weichao Wang,* and Yue Li*, Small, 1902373 (2019).

    [DOI: 10.1002/smll.201902373]
  • [100]

    "Origin of theoretical pseudocapacitance of two-dimensional supercapacitor electrodes Ti3C2T2 (T = bare, O, S)", Lijing Wang, Jin Wang, Zhenzhou Zhang, Linxia Wang, Weihua Wang, Jieyu Liu, Zhanglian Hong, Kyeongjae Cho and Weichao Wang*, J. Mater. Chem. A, 7,16231-16238 (2019)

    [DOI: 10.1039/C9TA03529J]
  • [99]

    "Sponge Effect Boosting Oxygen Reduction Reaction at the Interfaces between Mullite SmMn2O5 and Nitrogen-Doped Reduced Graphene Oxide", Meng Yu, Li Wang, Jieyu Liu,Hui Li, Xiuyao Lang, Chunning Zhao, Zhanglian Hong,and Weichao Wang*, ACS Appl. Mater. Interfaces, 11, 19, 17482-17490 (2019).

    [DOI: 10.1021/acsami.9b04451]
  • [98]

    "Exploring the microscopic mechanism of pseudocapacitance with electronic structures in monolayer 1T-MoS2 electrodes for supercapacitors", Zhenzhou Zhang, Maokun Wu, Lijing Wang, Jin Wang, Yahui Cheng, Luyan Li, Hong Dong, Hui Liu, Zhanglian Hong, Kyeongjae Cho, Feng Lu, Weichao Wang* and Wei-Hua Wang*, Mater. Chem. Front. (2019) Cover Article

    [DOI: 10.1039/c9qm00060g]
  • [97]

    "Electrospun YMn2O5 nanofibers: A highly catalytic activity for NO oxidation", Tong Zhang, Hui Li, Zhi Yang, Fengren Cao, Liang Li, Haijun Chen, Hui Liu, Ka Xiong, Jie Wu, Zhanglian Hong, Weichao Wang*, Applied Catalysis B: Environmental, 247, 133-141 (2019).

    [https://doi.org/10.1016/j.apcatb.2019.02.005]
  • [96]

    "Acceleration of material R&D process through rational design", Weichao Wang*, Jieyu Liu, Meng Yu, Chunning Zhao, Li Wang, Computational Materials Science, 160,397-402 (2019).

    [https://doi.org/10.1016/j.commatsci.2019.01.009]
  • [95]

    "Engineering NiO/NiFe LDH Intersection to Bypass Scaling Relationship for Oxygen Evolution Reaction via Dynamic Tridimensional Adsorption of Intermediates", Zhiwen Gao, Jieyu Liu, Xuemin Chen, Jing Mao, Hui Liu, Tian Ma, Lan Li, Weichao Wang*, Xiwen Du*, Adv. Mater., 1804769 (2019).

    [DOI: 10.1002/adma.201804769]
  • [94]

    "N-H Bond Activation in Ammonia by TM-SSZ-13 (Fe, Co, Ni, Cu) Zeolites: A First-Principles Calculation", Linxia Wang, Haijun Chen, Weichao Wang*, Phys. Chem. Chem. Phys., 21, 1506-1513 (2019)

    [DOI: 10.1039/C8CP06263C]
  • [93]

    "Understanding the Nature of Ammonia Treatment to Synthesize Oxygen Vacancy-Enriched Transition Metal Oxides" DaliLiu, ChanghongWang, YifuYu, Bo-HangZhao, WeichaoWang,* YonghuaDu, BinZhang*. Chem, 5, 1-14 (2019).

    [DOI: 10.1016/j.chempr.2018.11.001]
  • [92]

    "Manganese(II) phosphate nanosheet assembly with native out-of-plane Mn centres for electrocatalytic water oxidation" Hongfei Liu, Xueqing Gao, Xiaolong Yao, Mingxing Chen, Guojun Zhou, Jing Qi, Xueli Zhao, Weichao Wang*, Wei Zhang* and Rui Cao. Chem. Sci., 10, 191-197 (2019).

    [DOI: 10.1039/C8SC03764G]

2018

  • [91]

    “Enhanced Photocatalytic Performances and Magnetic Recovery Capacity of Visible-Light-Driven Z-Scheme ZnFe2O4/AgBr/Ag Photocatalyst” Jie He, Yahui Cheng*, Tianzhao Wang, Deqiang Feng, Lingcheng Zheng, Dawei Shao, Weichao Wang, Weihua Wang, Feng Lu, Hong Dong, Rongkun Zheng, Hui Liu. Appl. Surf. Sci., 440, 99-106 (2018).

    [DOI: 10.1016/j.apsusc.2017.12.219]
  • [90]

    “Bifunctional CoNx embedded graphene electrocatalysts for OER and ORR: A theoretical evaluation” Xilin Zhang, Zongxian Yang*, Zhansheng Lu, Weichao Wang*. Carbon, 130, 112-119 (2018).

    [DOI: 10.1016/j.carbon.2017.12.121 ]
  • [89]

    “Identifying the Key Role of Pyridinic‐N–Co Bonding in Synergistic Electrocatalysis for Reversible ORR/OER” Xue-Rui Wang, Jie-Yu Liu, Zi-Wei Liu, Wei-Chao Wang,* Jun Luo, Xiao-Peng Han, Xi-Wen Du, Shi-Zhang Qiao, and Jing Yang*. Adv. Mater., 30, 1800005 (2018).

    [DOI: 10.1002/adma.201800005 ]
  • [88]

    “Electronic structures, magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2” Maokun Wu, Xiaolong Yao, Yuan Hao, Hong Dong, Yahui Cheng, Hui Liu, Feng Lu, Weichao Wang, Kyeongjae Cho, Wei-Hua Wang*. Phys. Lett. A, 382, 111-115 (2018).

    [DOI: 10.1016/j.physleta.2017.10.024.]
  • [87]

    “Rational design of Si/TiO2 heterojunction photocatalysts: Transfer matrix method” Xiaolong Yao, Lei Chen, Mengyin Liu, Deqiang Feng, Changhong Wang, Feng Lu, Weihua Wang, Xuewei Wang, Yahui Cheng, Hui Liu, Haijun Chen* and WeichaoWang*. Appl. Catal. B: Environ., 221, 70-76 (2018).

    [DOI: 10.1016/j.apcatb.2017.08.087]
  • [86]

    “Tuning electronic and magnetic properties of Mn-mullite oxide sub-nanoclusters via MnO n polyhedron units” Hui Li , Kyeongjae Cho, Shunfang Li * and Weichao Wang*. Phys. Chem. Chem. Phys., 20, 16151-16158 (2018).

    [DOI: 10.1039/C8CP01910J ]
  • [85]

    “Metal/Graphene composites with strong metal–S bondings for sulfur immobilization in Li–S batteries” X Yao, J Xu, Z Hong, G Li, X Wang, F Lu, W Wang, H Liu, C Liang, Z Lin*, and W Wang*. J. Phys. Chem. C, 122 (6), 3263-3272 (2018).

    [DOI: 10.1021/acs.jpcc.7b12063]
  • [84]

    “TiO2-P3HT: PCBM photoelectrochemical tandem cells for solar-driven overall water splitting” D.W. Shao, L.C. Zheng, D.Q. Feng, J. He, R. Zhang, H. Liu, X.H. Zhang, Z.M. Lu, W.C. Wang, W.H. Wang, F. Lu, H. Dong, Y.H. Cheng*, H. Liu*, R.K. Zheng. J. Mater. Chem. A, 6, 4032-4039 (2018).

    [DOI: 10.1039/C7TA09367E]
  • [83]

    “Oxygen Reduction Reaction Catalytic Activity Enhancement over Mullite SmMn2O5 via Interfacing with Perovskite Oxides” Chunning Zhao, Meng Yu, Zhi Yang, Jieyu Liu, Shaohua Chen, Zhanglian Hong, Haijun Chen, Weichao Wang*. Nano Energy, 51, 91-101 (2018).

    [DOI:10.1016/j.nanoen.2018.06.039]
  • [82]

    “Physical realization of 2D spin liquid state by ab initio design and strain engineering in FeX3” P Liu, X Luo, Y Cheng, XW Wang, W Wang, H Liu, K Cho, WH Wang, F Lu*. J Phys Condens Matter., 30(32):325801 (2018).

    [DOI: 10.1088/1361-648X/aad0d1]
  • [81]

    “Morphology controlled synthesis of SmMn2O5 nanocrystals via a surfactant-free route for Zn-air batteries” Meng Yu, Qiliang Wei, Mingjie Wu, Jie Wu, Jieyu Liu, Gaixia Zhang, Shuhui Sun, Weichao Wang*. Journal of Power Sources, 396, 754-763 (2018).

    [DOI:10.1016/j.jpowsour.2018.06.095]
  • [80]

    “Design of Efficient Catalysts for CO Oxidation on Titanium Carbide-Supported Platinum via Computational Study” Shiyan Wang, Zongxian Yang*, Xingli Chu, Weichao Wang*. The Journal of Physical Chemistry C, 122 (45), 25974-25982 (2018).

    [DOI: 10.1021/acs.jpcc.8b07741]
  • [79]

    “Interfacial effects on the microstructures and magnetoresistance of Ni80Fe20/P3HT/Fe organic spin valves” Jie He, Lingcheng Zheng, Deqiang Feng, Mengyin Liu, Dawei Shao, Zunming Lu, Xinghua Zhang, Weihua Wang, Weichao Wang, Feng Lu, Hong Dong, Yahui Cheng*, Hui Liu*, Hui Liu, Rongkun Zheng. Journal of Alloys and Compounds, 769, 991-997 (2018).

    [DOI:10.1016/j.jallcom.2018.08.024]
  • [78]

    “Shape-modulated synthesis of mullite SmMn2O5 nanostructures with fast sensing response to acetone” Zhengyou Zhu, Lijun Zheng, Shizheng Zheng, Meng Yu, Mei Yu, Xuewei Wang, Zhihao Yuan, Weichao Wang*, Dachi Yang*. Ceramics International, 45 (1), 885-891 (2018).

    [DOI: 10.1016/j.ceramint.2018.09.260]
  • [77]

    “Single-atom Au/NiFe layered double hydroxide electrocatalyst: Probing the origin of activity for oxygen evolution reaction” J Zhang, J Liu, L Xi, Y Yu, N Chen, S Sun, W Wang*, KM Lange, B Zhang*. J Am Chem Soc., 140, 3876-3879, (2018).

    [DOI: 10.1021/jacs.8b00752]

2017

  • [76]

    “3D atomic‐scale insights into anisotropic core–shell‐structured in GaAs nanowires grown by metal–organic chemical vapor deposition” J Qu, S Du, T Burgess, C Wang, X Cui, Q Gao, W Wang, HH Tan, H Liu, C Jagadish, Y Zhang, H Chen, M Khan, S Ringer, and R Zheng*. Adv. Mater., 29 (31), 1701888 (2017).

    [DOI: 10.1002/adma.201701888]
  • [75]

    “Robust and Pristine Topological Dirac Semimetal Phase in Pressured Two-Dimensional Black Phosphorus” Peng-Lai Gong, Bei Deng, Liang-Feng Huang, Liang Hu, Wei-Chao Wang, Da-Yong Liu*, Xing-Qiang Shi*, Zhi Zeng, and Liang-Jian Zou*. J. Phys. Chem. C, 121, 20931-20936 (2017).

    [DOI: 10.1021/acs.jpcc.7b08926]
  • [74]

    “Modest Oxygen‐Defective Amorphous Manganese‐Based Nanoparticle Mullite with Superior Overall Electrocatalytic Performance for Oxygen Reduction Reaction” Chao Dong, Zi-Wei Liu, Jie-Yu Liu, Wei-Chao Wang, Lan Cui, Rui-Chun Luo, Hui-Long Guo, Xue-Li Zheng, Shi-Zhang Qiao, Xi-Wen Du, and Jing Yang*, Small 13, 1603903 (2017).

    [DOI: 10.1002/smll.201603903]
  • [73]

    “A Bi‐Sheath Fiber Sensor for Giant Tensile and Torsional Displacements” Run Wang, Nan Jiang, Jian Su, Qu Yin, Yue Zhang, Zhongsheng Liu, Haibao Lin, Francisco A. Moura, Ningyi Yuan, Siegmar Roth, Richard S. Rome, Raquel Ovalle-Robles, Kanzan Inoue, Shougen Yin, Shaoli Fang, Weichao Wang, Jianning Ding,* Linqi Shi,* Ray H. Baughman, and Zunfeng Li

    [DOI: 10.1002/adfm.201702134]
  • [72]

    “Origin of OER catalytic activity difference of oxygen-deficient perovskites A2Mn2O5 (A = Ca, Sr): A theoretical study” Xiaolong Yao, Jieyu Liu,Weihua Wang, Feng Lu, Weichao Wang*.The Journal of Chemical Physics, 146, 224703 (2017).

    [DOI: 10.1063/1.4985157.]
  • [71]

    “Interface chemistry study of InSb/Al2O3 stacks upon in situ post deposition annealing by synchrotron radiation photoemission spectroscopy” Xiaoran Shi, Xinglu Wang, Yong Sun, Chen Liu, Weihua Wang, Yahui Cheng, Weichao Wang, Jiaou Wang, Kyeongjae Cho, Feng Lu, Hui Liu, Hong Dong*. Appl. Surf. Sci. 425, 932-940 (2017).

    [DOI: 10.1016/j.apsusc.2017.07.001.]
  • [70]

    “Electronic structures and band alignments of monolayer metal trihalide semiconductors MX 3” Pan Liu, Feng Lu*, Maokun Wu, Xiaoguang Luo, Yahui Cheng, Xuewei Wang, Weichao Wang, Weihua Wang, Hui Liu and Kyeongjae Cho. J. Mater. Chem. C, 5, 9066-9071 (2017).

    [DOI: 10.1039/C7TC03003G. ]
  • [69]

    “Enhanced photocatalytic activities of g-C3N4 with large specific surface area via a facile one-step synthesis process” Deqiang Feng, Yahui Cheng*, Jie He, Lingcheng Zheng, Dawei Shao, Weichao Wang, Weihua Wang, Feng Lu, Hong Dong, Hui Liu, Rongkun Zheng and Hui Liu. Carbon, 125, 454-463 (2017).

    [DOI: 10.1016/j.carbon.2017.09.084]
  • [68]

    “Investigation of the hydrothermal aging of an Mn-based mullite SmMn 2 O 5 catalyst of NO oxidation” Lina Xue*, Ka Xiong,Haijun Chen, Kyeongjae Cho*,and Weichao Wang*. RSC Adv., 7, 49091-49096 (2017).

    [DOI: 10.1039/C7RA09306C]
  • [67]

    “3D Si/ITO/WO3 photoelectrode with a micropost array structure for photocatalysis enhancement” Deyin Zheng, Xiufen Jiang, Mengyin Liu, Xin Zhao, Weichao Wang and Guangyi Sun*. Journal of Micromechanics and Microengineering, 27, 115011 (2017).

    [DOI: 10.1088/1361-6439/aa839b]
  • [66]

    "Class of diatomic ferroelectrics with multifunctional properties: IV-VI compounds in the distorted NiAs-type structure" Hu Zhang, Bei Deng, Wei-Chao Wang, and Xing-Qiang Shi*. PHYSICAL REVIEW B, 96, 245136 (2017).

    [ DOI: 10.1103/PhysRevB.96.245136]
  • [65]

    “Electronic transport across metal-graphene edge contact” C. Gong, C.X. Zhang, Y.J. Oh, W.C. Wang, G. Lee, B. Shan, R.M. Wallace, K. Cho, 2D Mater., 4, 025033 (2017).

    [http://iopscience.iop.org/article/10.1088/2053-1583/aa5c9d]
  • [64]

    “Energetics of metal ion adsorption on and diffusion through crown ethers: First principles study on two-dimensional electrolyte” W.H. Wang*, C. Gong, W.C. Wang, F.T. Kong, H. Kim, S.K. Fullerton-Shirey, A. Seabaugh, K. Cho*, Solid State Ionics, 301, 176-181 (2017).

    [DOI: 10.1016/j.ssi.2017.01.029]
  • [63]

    “Schottky Barrier Height of Pd/MoS2 Contact by Large Area Photoemission Spectroscopy” H. Dong, C. Gong, R. Addou, S. McDonnell, A. Azcatl, X.Y. Qin, W.C. Wang, W.H. Wang, C.L. Hinkle, R.M. Wallace*. ACS Appl. Mater. Interfaces, 9, 38977-38983 (2017).

    [DOI: 10.1021/acsami.7b10974]
  • [62]

    “SnS2 Nanoplates with Specific Facets Exposed for Enhanced Visible-Light-Driven Photocatalysis” Erwei Huang, Xiaolong Yao, Weichao Wang, Guangjun Wu, Naijia Guan, and Landong Li*. ChemPhotoChem, 1(2): 60-69 (2017).

    [DOI: 10.1002/cptc.201600026]
  • [61]

    “A Spatially Separated Organic–Inorganic Hybrid Photoelectrochemical Cell for Unassisted Overall Water Splitting” Dawei Shao, Yahui Cheng, Jie He, Deqiang Feng, Lingcheng Zheng, Lijun Zheng, Xinghua Zhang, Jianping Xu, Weichao Wang, Weihua Wang, Feng Lu, Hong Dong, Luyan Li, Hui Liu, Rongkun Zheng, and Hui Liu*. ACS Catalysis, 7(8): 5308-5315 (2017

    [DOI: 10.1021/acscatal.7b01002]
  • [60]

    “Electric-field control of ferromagnetism through oxygen ion gating” Hao-Bo Li, Nianpeng Lu, Qinghua Zhang, Yujia Wang, Deqiang Feng, Tianzhe Chen, Shuzhen Yang, Zheng Duan, Zhuolu Li, Yujun Shi, Weichao Wang, Wei-Hua Wang, Kui Jin, Hui Liu, Jing Ma, Lin Gu, Cewen Nan & Pu Yu. Nature communications, 8(1): 2156 (2017).

    [DOI: 10.1038/s41467-017-02359-6]
  • [59]

    “Investigation of high oxygen reduction reaction catalytic performance on Mn-based mullite SmMn2O5” Jieyu Liu, Meng Yu, Xuewei Wang, Jie Wu, Changhong Wang, Lijun Zheng, Dachi Yang, Hui Liu, Yan Yao, Feng Lu* and Weichao Wang *. Journal of Materials Chemistry A, 5(39): 20922-20931 (2017).

    [DOI: 10.1039/c7ta02905e]
  • [58]

    “Construction of Z-scheme Cu2O/Cu/AgBr/Ag photocatalyst with enhanced photocatalytic activity and stability under visible light” J. He, D. W. Shao, L. C. Zheng, L. J. Zheng, D. Q. Feng, J. P. Xu, X. H. Zhang, W. C. Wang, W. H. Wang, F. Lu, H. Dong, Y. H. Cheng*, H. Liu*, R. K. Zheng. Applied Catalysis B: Environmental, 203, 917-926 (2017)

    [DOI: 10.1016/j.apcatb.2016.10.086]

2016

  • [57]

    “Efficient photo-degradation of dyes using CuWO4 nanoparticles with electron sacrificial agents: a combination of experimental and theoretical exploration” Xinjian Xie, Mengyin Liu, Changhong Wang, Lei Chen, Jianping Xu, Yahui Cheng, Hong Dong, Feng Lu, Wei-Hua Wang, Hui Liu and Weichao Wang*, RSC Adv., 6, 953-959 (2016).

    [DOI: 10.1039/C5RA18788E]
  • [56]

    “A class of monolayer metal halogenides MX2: Electronic structures and band alignments” Feng Lu, Weichao Wang, Xiaoguang Luo, Xinjian Xie, Yahui Cheng, Hong Dong, Hui Liu, and Wei-Hua Wang*. Appl. Phys. Lett., 108, 132104 (2016).

    [DOI: 10.1063/1.4945366]
  • [55]

    “Identifying the descriptor governing NO oxidation on mullite Sm (Y, Tb, Gd, Lu) Mn2O5 for diesel exhaust cleaning” Hao-Bo Li, Wei-Hua Wang, Xinyu Qian, Yahui Cheng, Xinjian Xie, Jieyu Liu, Shuhui Sun, Jigang Zhou, Yongfeng Hu, Jianping Xu, Lan Li, Yan Zhang, Xiwen Du, Kuanghong Gao, Zhiqing Li, Cui Zhang, Shudong Wang, Haijun Chen, Yidong Zhao, Fe

    [DOI: 10.1039/C5CY01798J]
  • [54]

    “Origin of Indium Diffusion in High-k Oxide HfO2” Yaoqiao Hu, Changhong Wang, Hong Dong, Robert M. Wallace, Kyeongjae Cho, Wei-Hua Wang* and Weichao Wang*. ACS Appl. Mater. Interfaces, 8, 7595–7600 (2016).

    [DOI: 10.1021/acsami.6b01068]
  • [53]

    “Band offsets and electronic structures of interface between In0.5Ga0.5As and InP” Genwang Cai, Changhong Wang, Weichao Wang, and Erjun Liang*. Journal of Applied Physics, 119(5), 055705 (2016).

    [DOI: 10.1063/1.4941029]
  • [52]

    “A Semi‐Conductive Copper–Organic Framework with Two Types of Photocatalytic Activity” Zhi‐Lei Wu, Chang‐Hong Wang, Prof. Dr. Bin Zhao*, Jie Dong, Dr. Feng Lu, Dr. Wei‐Hua Wang, Prof. Dr. Wei‐Chao Wang*, Dr. Guang‐Jun Wu, Prof. Dr. Jian‐Zhong Cui, Prof. Dr. Peng Cheng. Angew. Chem. Int. Ed., 55 (16), 4938-4942 (2016).

    [DOI: 10.1002/ange.201508325Photoc]
  • [51]

    “Elucidating dz2 orbital selective in catalytic activity in brownmillerite Ca2Mn2O5” Y Lu, F Lu, Z Yang, J Wu, H Yu, X Xie, J Xu, F Cheng, J Chen, K Xiong, Y Lu*, and W Wang*. AIP Adv., 6 (9), 095210 (2016).

    [DOI: 10.1063/1.4963079]
  • [50]

    “Electronic properties and native point defects of high efficient NO oxidation catalysts SmMn2O5” H.B. Li, Z. Yang, J. Liu, X.L. Yao, K. Xiong, H. Liu, W.H. Wang, F. Lu, W.C. Wang*. Appl. Phys. Lett., 109, 211903 (2016).

    [DOI: 10.1063/1.4968786]
  • [49]

    "A rational design of heterojunction photocatalyst cds interfacing with one cycle of ald oxide" Mengyin Liu, Xinjian Xie, Lei Chen, Xuewei Wang, Yahui Cheng, Feng Lu, Wei-Hua Wang, Jing Yang, Xiwen Du, Junda Zhu, Haitao Liu, Hong Dong, Weichao Wang, Hui Liu, J. Mater. Sci. Technol., 32, 489-495 (2016).

    [DOI: 10.1016/j.jmst.2016.04.002]
  • [48]

    “Mixed-phase mullite electrocatalyst for pH-neutral oxygen reduction in magnesium-air batteries” Yifei Li, Xiaoxue Zhang, Hao-Bo Li, Hyun Deog Yoo, Xiaowei Chi, Qinyou An, Jieyu Liu, Meng Yu, Weichao Wang*, Yan Yao*. Nano Energy, 27, 8–16 (2016).

    [DOI: 10.1016/j.nanoen.2016.06.033]
  • [47]

    “Downsized sheath–core conducting fibers for weavable superelastic wires, biosensors, supercapacitors, and strain sensors” Hongyan Wang, Zunfeng Liu, Jianning Ding, Xavier Lepró, Shaoli Fang, Nan Jiang, Ninyi Yuan, Run Wang, Qu Yin, Wei Lv, Zhongsheng Liu, Mei Zhang, Raquel Ovalle‐Robles, Kanzan Inoue, Shougen Yin*, Ray H. Baughman*. Adv. Mater., 2

    [DOI:10.1002/adma.201600405]
  • [46]

    “Fabrication of novel CuWO4 hollow microsphere photocatalyst for dye degradation under visible-light irradiation” Limin Liang, Hui Liu, Yuan Tian, Qiuyan Hao, Caichi Liu, Weichao Wang, Xinjian Xie*. Materials Letters 182, 302-304 (2016).

    [DOI: 10.1016/j.matlet.2016.05.166]

2015

  • [45]

    “First-Principles Study of Crown Ether and Crown Ether-Li Complex Interactions with Graphene” Wei-Hua Wang, Cheng Gong, Weichao Wang, Susan K. Fullerton-Shirey, Alan Seabaugh, and Kyeongjae Cho*. J. Phys. Chem. C, 119, 20016-20022 (2015).

    [DOI: 10.1021/acs.jpcc.5b07049]
  • [44]

    “Red-light emission induced by Mn-doped magnesium fluorogermanate” Jiabei He, Haobo Li, Linlin Yuan, Changhong Wang, Yahui Cheng, Weihua Wang, Feng Lu, Lan Li, Weichao Wang and Hui Liu*. J. Phys. D: Appl. Phys., 48 (47), 475101 (2015).

    [DOI: 10.1088/0022-3727/48/47/475101.]
  • [43]

    “Enhancement of the thermoelectric efficiency of PbTe by selective site doping: effect of group VA impurities” K Xiong, RC Longo*, W Wang, RP Gupta, BE Gnade, and K Cho. Comp. Mater. Sci., 97, 159–164 (2015).

    [DOI: 10.1016/j.commatsci.2014.10.027 ]
  • [42]

    “Materials Design on the Origin of Gap States in a High-ĸ/GaAs Interface” W.C. Wang, C. Gong, K. Xiong, K.C. Santosh, R.M. Wallace, K.J. Cho*, Engineering, 1, 372-377 (2015).

    [DOI: 10.15302/J-ENG-2015052]
  • [41]

    "Pure and oxidized ag substrate influence on the phase transformation and semiconducting behaviors of layered zno: A first-principles study" Changhong Wang, Wei-Hua Wang, Feng Lu, Yahui Cheng, Liru Ren, Weichao Wang, Hui Liu, J. Phys. Chem. C, 119, 4891-4897 (2015).

    [DOI:10.1021/jp512621r]
  • [40]

    "Gan as an interfacial passivation layer: Tuning band offset and removing fermi level pinning for iii–v mos devices" Zhaofu Zhang, Ruyue Cao, Changhong Wang, Hao-Bo Li, Hong Dong, Wei-hua Wang, Feng Lu, Yahui Cheng, Xinjian Xie, Hui Liu, Kyeongjae Cho, Robert Wallace, Weichao Wang, ACS Appl. Mater. Interfaces, 7, 5141-5149, (2015).

    [DOI:10.1021/am507287f]
  • [39]

    "Electronic structure and ferromagnetism modulation in cu/cu2o interface: Impact of interfacial cu vacancy and its diffusion" Hao-Bo Li, Weichao Wang, Xinjian Xie, Yahui Cheng, Zhaofu Zhang, Hong Dong, Rongkun Zheng, Wei-Hua Wang, Feng Lu, Hui Liu, Sci Rep., 5, 15191-15191 (2015).

    [DOI:10.1038/srep15191]
  • [38]

    “Interfacial bonding and electronic structure of GaN/GaAs interface: A first-principles study” Ruyue Cao, Zhaofu Zhang, Changhong Wang, Haobo Li, Xinjian Xie, Hong Dong, Hui Liu, and Weichao Wang. Journal of Applied Physics, 2015, 117(13): 135302.

    [DOI: 10.1063/1.4916724]
  • [37]

    “Extraordinary Hall effect and universal scaling in Fex(ZnO)1–x granular thin films at room temperature” Hao-Bo Li, Mengyin Liu, Feng Lu, Weichao Wang, Yahui Cheng, Shutao Song, Yan Zhang, Zhiqing Li, Jie He, Hui Liu, Xiwen Du, and Rongkun Zheng. Applied Physics Letters, 2015, 106(1): 012401.

    [DOI: 10.1063/1.4905357]
  • [36]

    “A multijunction of ZnIn2S4 nanosheet/TiO2 film/Si nanowire for significant performance enhancement of water splitting” Qiong Liu. Fangli Wu, Fengren Cao, Lei Chen, Xinjian Xie, Weichao Wang, Wei Tian*, Liang Li*.Nano Research, 8(11), 3524–3534 (2015)

    [DOI: 10.1007/s12274-015-0852-5]
  • [35]

    “Surface plasmon resonance enhanced visible-light-driven photocatalytic activity in Cu nanoparticles covered Cu2O microspheres for degrading organic pollutants” Yahui Cheng*, Yuanjing Lin, Jianping Xu, Jie He, Tianzhao Wang, Guojun Yu, Dawei Shao, Wei-Hua Wang, Feng Lu, Lan Li, Xiwen Du, WeichaoWang, Hui Liu* and Rongkun Zheng. Appl. Surf. Sci., 36

    [DOI: 10.1016/j.apsusc.2015.12.238]

2014

  • [34]

    “Energy-filtered cold electron transport at room temperature” Pradeep Bhadrachalam*, Ramkumar Subramanian*, Vishva Ray, Liang-Chieh Ma, Weichao Wang, Jiyoung Kim, Kyeongjae Cho & Seong Jin Koh. Nat. Commun., 5, 4745 (2014).

    [DOI: 10.1038/ncomms5745]
  • [33]

    “Behavior of Li defects in solid electrolyte lithium thiophosphate Li7P3S11: A first principles study” K. Xiong*, R. C. Longo*, K. C. Santosh, W. Wang and Kyeongjae Cho*. Comput. Mater. Sci., 90, 44-49 (2014).

    [ DOI: 10.1016/j.commatsci.2014.03.030]
  • [32]

    “Electronic properties of InP (001)/HfO2 (001) interface: Band offsets and oxygen dependence” Santosh KC, Hong Dong, Roberto C. Longo, Weichao Wang, Ka Xiong, Robert M. Wallace, Kyeongjae Cho*. Journal of Applied Physics, 115, 023703 (2014).

    [DOI: 10.1063/1.4861177]
  • [31]

    “Interfacial charge transfer and enhanced photocatalytic performance for the heterojunction WO3/BiOCl: first-principles study” Wenjuan Yang, Yanwei We, Dawen Zeng, Qingbo Wang, Rong Chen, Weichao Wang* and Bin Shan*. J. Mater. Chem. A, 2, 20770-20775 (2014).

    [DOI: 10.1039/C4TA04327H]

2013

  • [30]

    "Room-temperature ferromagnetism in nanocrystalline Cu/Cu2O core-shell structures prepared by magnetron sputtering" Hao-Bo Li, Xinjian Xie, Weichao Wang, Yahui Cheng, Wei-Hua Wang, Luyan Li, Hui Liu, Gehui Wen, Rongkun Zheng, APL Mater., 1, 042106 (2013).

    [DOI:10.1063/1.4824037]
  • [29]

    “Enhanced photosensitized activity of a BiOCl–Bi2WO6 heterojunction by effective interfacial charge transfer” Wenjuan Yang, Bo Ma, Weichao Wang, Yanwei Wen, Dawen Zeng* and Bin Shan*. Phys. Chem. Chem. Phys., 15, 19387-19394 (2013).

    [ DOI: 10.1039/C3CP53628A]
  • [28]

    “Si: WO 3 heterostructure for Z-scheme water splitting: an ab initio study” Weichao Wang, Shiyou Chen*, Ping-Xiong Yang, Chun-Gang Duan, Lin-Wang Wang*.J. Mater. Chem. A, 1, 1078 (2013).

    [DOI: 10.1039/c2ta00441k]
  • [27]

    “First principles study on InP (001)-(2× 4) surface oxidation” K. C. Santosh, Weichao Wang, Hong Dong, Ka Xiong, Roberto C. Longo, Robert M. Wallace, Kyeongjae Cho*. Journal of Applied Physics 113, 103705 (2013).

    [DOI: 10.1063/1.4794826]
  • [26]

    “Interfacial bonding and electronic structure of HfO2/GaSb interfaces: A first principles study” K. Xiong*, W. Wang, D. M. Zhernokletov, Santosh K. C., R. C. Longo, R. M. Wallace and K. Cho*. Appl. Phys. Lett., 102, 022901 (2013).

    [DOI: 10.1063/1.4775665]

2012 and earlier

  • [25]

    “n-type doping in Cu2O with F, Cl, and Br: A first-principles study” Qiong Bai, Weichao Wang, Qiming Zhang* and Meng Tao. J. Appl. Phys., 111, 023709 (2012).

    [DOI: 10.1063/1.3677989]
  • [24]

    “Influence of the exchange-correlation potential on the electrochemical properties of multicomponent silicate cathode materials” R. C. Longo, K. Xiong, W. Wang, K. Cho*. Electrochimica Acta, 80, 84-89 (2012).

    [DOI: 10.1016/j.electacta.2012.06.110]
  • [23]

    “Investigation of band offsets of interface BiOCl: Bi 2 WO 6: a first-principles study” Weichao Wang, Wenjuan Yang, Rong Chen, Xianbao Duan, Yunlong Tian, Dawen Zeng* and Bin Shan*. Phys. Chem. Chem. Phys., 14, 2450-2454 (2012).

    [DOI: 10.1039/C2CP23186G]
  • [22]

    “pH-dependence of conduction type in cuprous oxide synthesized from solution” W Wang, D Wu, Q Zhang, L Wang, M Tao*, J appl phys., 107, 123717 (2010).

    [DOI: 10.1063/1.3452383]
  • [21]

    “Behaviour of group IIIA impurities in PbTe: implications to improve thermoelectric efficiency” K Xiong, G Lee, RP Gupta, W Wang, BE Gnade, K Cho*. J Phys D Appl Phys., 43 (40), 405403 (2010)

    [DOI:10.1088/0022-3727/43/40/405403]
  • [20]

    “Mixed-Phase Oxide Catalyst Based on Mn-Mullite (Sm, Gd)Mn2O5 for NO Oxidation in Diesel Exhaust” Weichao Wang,* Geoffrey McCool, Neeti Kapur, Guang Yuan, Bin Shan, Matt Nguyen, Uschi M. Graham, Burtron H. Davis, Gary Jacobs, Kyeongjae Cho, * Xianghong (Kelly) Hao*. Science, 337 (6096), 832-835 (2012).

    [DOI: 10.1126/science.1225091]
  • [19]

    “Metal–Graphene–Metal Sandwich Contacts for Enhanced Interface Bonding and Work Function Control” Cheng Gong, David Hinojos, Weichao Wang, Nour Nijem, Bin Shan, Robert M. Wallace, Kyeongjae Cho,* and Yves J. Chabal,* ACS Nano, 6 (6), 5381- 5387 (2012).

    [DOI: 10.1021/nn301241p]
  • [18]

    “Theoretical Progress on GaAs (001) Surface and GaAs/High‐k Interface” Weichao Wang, Ka Xiong, Robert M. Wallace, Kyeongjae Cho*. (2012)

    [DOI: 10.1002/9783527646340.ch13]
  • [17]

    “First-principles study of initial growth of GaXO layer on GaAs-β2(2 × 4) surface and interface passivation by F” Weichao Wang, Ka Xiong, Robert M. Wallace, Kyeongjae Cho*. Journal of Applied Physics 110, 103714 (2011).

    [DOI: 10.1063/1.3662892]
  • [16]

    “Si passivation effects on atomic bonding and electronic properties at HfO2/GaAs interface: A first-principles study” Weichao Wang, Ka Xiong, Cheng Gong, Robert M. Wallace, Kyeongjae Cho*. Journal of Applied Physics 109, 063704 (2011).

    [DOI: 10.1063/1.3554689]
  • [15]

    “Sulfur passivation effect on HfO2/GaAs interface: A first-principles study” Weichao Wang, Cheng Gong, Bin Shan, Robert M. Wallace, Kyeongjae Cho*. Appl. Phys. Lett. 98, 232113 (2011)

    [DOI: 10.1063/1.3597219]
  • [14]

    “Is interfacial chemistry correlated to gap states for high-k/III–V interfaces?” W Wang, CL Hinkle, EM Vogel, K Cho, RM Wallace*, Microelectron Eng., 88, 1061-1065 (2011).

    [DOI: 10.1016/j.mee.2011.03.053]
  • [13]

    "First principles study of si etching by chf3 plasma source" Weichao Wang, Pil-Ryung Cha, Sang ho Lee, Gyoodong Kim, Moon J. Kim, Kyeongjae Cho, Appl. Surf. Sci., 257, 8767-8771 (2011).

    [DOI: 10.1016/j.apsusc.2011.03.147]
  • [12]

    “First-principles study of GaAs (0 0 1)-β2 (2× 4) surface oxidation” W Wang*, G Lee, M Huang, RM Wallace, and K Cho*. Microelectron. Eng., 88 (12), 3419-3423 (2011).

    [DOI: 10.1016/j.mee.2009.11.006]
  • [11]

    “First principles study of electronic structures of dopants in Mg2Si” K Xiong*, S Sobhani, RP Gupta, W Wang, BE Gnade, and K Cho*. MRS Online Proceedings Library Archive, 1329 (2011).

    [DOI: 10.1557/opl.2011.1239]
  • [10]

    “ Field Emission from Atomically Thin Edges of Reduced Graphene Oxide” HisatoYamaguchi,* KatsuhisaMurakami, GokiEda, TakeshiFujita, PengfeiGuan, WeichaoWang, Cheng Gong, Julien Boisse, Steve Miller, Muge Acik, Kyeongjae Cho, Yves J. Chabal, Mingwei Chen, Fujio Wakaya, Mikio Takai, and Manish Chhowalla*. ACS Nano, 5 (6), 4945-4952 (2011).

    [DOI: 10.1021/nn201043a]
  • [9]

    “Band Offset Control by Interfacial Oxygen Content at GaAs:HfO2 interfaces” Weichao Wang, Robert M. Wallace and Kyeongjae Cho* (2011).

    [DOI: 10.1557/PROC-1252-I06-04]
  • [8]

    “First principles study of defects in solid electrolyte lithium thiophosphate Li7P3S11” Ka Xiong, Weichao Wang, Roberto Longo Pazos and Kyeongjae Cho*. MRS Online Proceedings Library (OPL). 1331, mrss11-1331-k05-05 (2011).

    [DOI: 10. 1557/opl. 2011.1423]
  • [7]

    “Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces” Ka Xiong, Weichao Wang, Husam N Alshareef, Rahul P Gupta, John B White, Bruce E Gnade and Kyeongjae Cho*. J. Phys. D: Appl. Phys., 43, 115303 (2010).

    [DOI: 10.1088/0022-3727/43/11/115303]
  • [6]

    “Origin of HfO2/GaAs interface states and interface passivation: A first principles study” WeichaoWang, Ka Xiong, Geunsik Lee, Min Huang, Robert M.Wallace and Kyeongjae Cho*. Appl. Surf. Sci., 256, 6569-6573 (2010).

    [DOI: 10.1016/j.apsusc.2010.04.048]
  • [5]

    “Impact of Interfacial Oxygen Content on Bonding, Stability, Band Offsets, and Interface States of GaAs: HfO2 Interfaces” Weichao Wang, Ka Xiong, Robert M. Wallace, and Kyeongjae Cho*. J. Phys. Chem. C, 114 (51), 22610–22618 (2010).

    [DOI: 10.1021/jp107880r]
  • [4]

    “First-principles study of GaAs(001)- surface oxidation and passivation with H, Cl, S, F, and GaO ” Weichao Wang, Geunsik Lee, Min Huang, Robert M. Wallace, and Kyeongjae Cho*. J. Appl. Phys., 107(10), 103720 (2010).

    [DOI: 10.1063/1.3369540]
  • [3]

    “First-Principles and Quantum Transport Studies of Metal-Graphene End Contacts” Kyeongjae Cho, Cheng Gong, Geunsik Lee, Weichao Wang, Bin Shan, Eric M. Vogel, and Robert M. Wallace*. MRS Online Proceedings Library Archive, 1259 (2010).

    [DOI: 10.1557/PROC-1259-S14-35]
  • [2]

    “First-Principles study of HfO2/:GaAs interface passivation by Si and Ge” Weichao Wang, Ka Xiong, Geunsik Lee, Min Huang, Robery M. Wallace and Kyeongjae Cho* (2009).

    [DOI: 10.1557/PROC-1155-C09-15]
  • [1]

    “First Principles Study of Metal/Bi2Te3 Interfaces: Implications to Improve Contact Resistance” Ka Xiong, Weichao Wang, Husam N. Alshareef, Rahul P. Gupta, John B. White, Bruce E. Gnade, and Kyeongjae Cho*. MRS Online Proceedings Library Archive, 1166 (2009).

    [DOI: 10.1557/PROC-1166-N05-01]