代表性英文论文：
[1]Xijun Wang, Kaihang Shi, Anyang Peng, Randall Q. Snurr*.Computational Chemistry and Machine Learning-Assisted Screening of Supported Amorphous Metal Oxide Nanoclusters for Methane Activation.ACS Catal. 2024, 14, 18708–18721
[1]Xijun Wang, Kaihang Shi, Anyang Peng, Randall Q. Snurr*.Probing the structure–property relationships of supported copper oxide nanoclusters for methane activation.EES Catal. 2024, 2 (1), 351-364
[2]Evan Xie, Xijun Wang*.Fine-Tuning Dual Single-Atom Metal Sites on Graphene toward Enhanced Oxygen Reduction Reaction Activity.J. Phys. Chem. Lett. 2023, 14, 42, 9392–9402
[3]Xijun Wang, Shuang Jiang, Wei Hu, Sheng Ye, Tairan Wang, Fan Wu, Li Yang, Xiyu Li, Guozhen Zhang, Xin Chen,* Jun Jiang,* Yi Luo*.Quantitatively Determining Surface−Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning.J. Am. Chem. Soc. 2022, 144, 35, 16069–16076
[4]Xijun Wang, Yunfei Gao, Emily Krzystowczyk, Sherafghan Iftikhar, Jian Dou, Runxia Cai, Haiying Wang, Chongyan Ruan, Sheng Ye, Fanxing Li*.High-Throughput Oxygen Chemical Potential Engineering of Perovskite Oxides for Chemical Looping Applications.Energy Environ. Sci. 2022, 15, 1512-1528
[5]Xijun Wang, Sheng Ye, Wei Hu, Edward Sharman, Ran Liu, Yan Liu, Yi Luo, Jun Jiang*.Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface–Molecular Adsorbate Interactions.J. Am. Chem. Soc. 2020, 142, 17, 7737–7743
[6]Xijun Wang, Xiang Jiang, Edward Sharman, Li Yang, Xiyu Li, Guozhen Zhang, Jin Zhao, Yi Luo, Jun Jiang*.Isolating hydrogen from oxygen in photocatalytic water splitting with a carbon-quantum-dot/carbon-nitride hybrid.J. Mater. Chem. A 2019, 7, 6143-6148
[7]Xijun Wang, Guozhen Zhang, Zhaowu Wang, Li Yang, Xiyu Li, Jun Jiang,* Yi Luo*.Metal-enhanced hydrogenation of graphene with atomic pattern.Carbon 2019, 143, 700–705
[8]Xijun Wang, Guozhen Zhang, Li Yang, Edward Sharman, Jun Jiang*.Material descriptors for photocatalyst/catalyst design.WIREs Comput. Mol. Sci. 2018, e1369
[9]Xijun Wang, Zhaowu Wang, Guozhen Zhang, Jun Jiang*.Insight into Electronic and Structural Reorganizations for Defect-Induced VO2 Metal–Insulator Transition.J. Phys. Chem. Lett. 2017, 8, 13, 3129–3132
[10]Xijun Wang, Emily Krzystowczyk, Jian Dou, Fanxing Li*.Net Electronic Charge as an Effective Electronic Descriptor for Oxygen Release and Transport Properties of SrFeO3-based Oxygen Sorbents.Chem. Mater. 2021, 33, 7, 2446–2456
[11]Xijun Wang, Chuanyi Jia, Edward Sharman, Guozhen Zhang, Xin Li,* Jun Jiang.Carbon Monoxide Oxidation Promoted by Surface Polarization Charges in a CuO/Ag Hybrid Catalyst.Sci. Rep. 2020, 10, 1, 1-9
[12]Liyan Xie, Li Yang, Wanying Ge, Xijun Wang,* Jun Jiang.Bandgap tuning of C3N monolayer: A first-principles study.Chem. Phys. 2019, 520, 1, 40–46
[13]Mohammad Rasel Mian,† Xijun Wang,† Xingjie Wang, Kent O. Kirlikovali, Haomiao Xie, Kaikai Ma, Kira M. Fahy, Haoyuan Chen, Timur Islamoglu*, Randall Q. Snurr*, and Omar K. Farha*.Structure–Activity Relationship Insights for Organophosphonate Hydrolysis at Ti(IV) Active Sites in Metal–Organic Frameworks.J. Am. Chem. Soc. 2023, 145, 13, 7435–7445
[14]Runxia Cai,† Hilal Bektas,† Xijun Wang,† Kyle McClintock, Lauren Teague, Kunran Yang, Fanxing Li*.Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High-Throughput Combinatorial Approach.Adv. Energy Mater. 2023, 2203833
[15]Yunfei Gao,† Xijun Wang,† Noel Corolla, Tim Eldred, Arnab Bose, Wenpei Gao, Fanxing Li*.Alkali metal halide–coated perovskite redox catalysts for anaerobic oxidative dehydrogenation of n-butane.Sci. Adv. 2022, 8, eabo7343
[16]Chongyan Ruan,† Xijun Wang,† Chaojie Wang, Lirong Zheng, Lin Li, Jian Lin, Xiaoyan Liu, Fanxing Li,* Xiaodong Wang*.Selective catalytic oxidation of ammonia to nitric oxide via chemical looping.Nat. Commun. 2022, 13, 718
[17]Ali Han,† Xijun Wang,† Kun Tang, Zedong Zhang, Chenliang Ye, Kejian Kong, Haibo Hu, Lirong Zheng, Peng Jiang, Changxin Zhao, Qiang Zhang, Dingsheng Wang,* Yadong Li.An Adjacent Atomic Platinum Site Enables Single-Atom Iron with High Oxygen Reduction Reaction Performance.Angew. Chem. Int. Ed. 2021, 60, 19262-19271
[18]Ali Han,† Xiaofeng Zhou,† Xijun Wang,† Sheng Liu, Qihua Xiong, Wenjing Zhang, Fanxing Li, Dingsheng Wang,* Lain-Jong Li,* Yadong Li*.One-Step Synthesis of Single-Site Vanadium Substitution in 1T-WS2 Monolayers for Enhanced Hydrogen Evolution Catalysis.Nat. Commun. 2021, 12, 709
[19]Chuanyi Jia,† Xijun Wang,† Huabing Yin, Wenhui Zhong, Edward Sharman, Yi Luo, Jun Jiang*.Edge-Effect Enhanced Catalytic CO Oxidation by Atomically Dispersed Pt on Nitride-Graphene.J. Mater. Chem. A 2021, 9, 4, 2093-2098.
[20]Chuanyi Jia,† Yujin Zhang,† Xijun Wang,† Wenhui Zhong, Oleg V. Prezhdo, Yi Luo, Jun Jiang*.Sharp-Tip Enhanced Catalytic CO Oxidation by Atomically Dispersed Pt1/Pt2 on Raised Graphene Oxide Platform.J. Mater. Chem. A 2020, 8, 12485–12494
[21]Emily Krzystowczyk,† Xijun Wang,† Jian Dou, Vasudev Haribal, Fanxing Li*.Substituted SrFeO3 as Robust Oxygen Sorbents for Thermochemical Air Separation: Correlating Redox Performance with Compositional and Structural Properties.Phys. Chem. Chem. Phys. 2020, 22, 8924–8932
[22]Zhongtao Wang,† Xijun Wang,† Wei Liu, Xiaoliang Ji, Chunqing Wang*.Ohmic Contact Formation Mechanisms of TiN film on 4H-SiC.Ceram. Int. 2020, 46, 6, 7142–7148
[23]Yang Zhao,† Xijun Wang,† Shize Yang, Elisabeth Kuttner, Aidan A. Taylor, Reza Salemmilani, Xin Liu, Martin Moskovits, Binghui Wu, Ahmad Dehestani, Jian-Feng Li, Matthew F. Chisholm, Zhong-Qun Tian, Feng-Ru Fan*, Jun Jiang*, Galen D. Stucky*.Protecting the Nanoscale Properties of Ag Nanowires with an Epitaxially Grown Single SnO2 Monolayer as Corrosion Inhibitor.J. Am. Chem. Soc. 2019, 141, 35, 13977–13986
[24]Vasudev Pralhad Haribal,† Xijun Wang,†, Ryan Dudek, Courtney Paulus, Brian Turk, Raghubir Gupta, Fanxing Li*.Modified Ceria for “Low‐Temperature” CO2 Utilization: A Chemical Looping Route to Exploit Industrial Waste Heat.Adv. Energy Mater. 2019, 9, 41, 1901963
[25]Chuanyi Jia,† Xijun Wang,† Wenhui Zhong, Zhunzhun Wang, Oleg V. Prezhdo, Yi Luo, Jun Jiang*.Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O2 Activation and CO Oxidation by Au−Cu Bimetallic Clusters on TiO2(101).ACS Appl. Mater. Inter. 2019, 11, 9, 9629-9640
[26]Qing Zhu,† Xijun Wang,† Jun Jiang*, An-Wu Xu*.The “healing” effect of reduced graphene oxide in achieving robust room-temperature dilute ferromagnetism in oxygen deficient titanium dioxide.J. Phys. Chem. C 2017, 121, 41, 22806–22814
[27]Nana Du,† Chengming Wang,† Xijun Wang,† Yue Lin, Jun Jiang, Yujie Xiong*.Trimetallic TriStar Nanostructures: Tuning Electronic and Surface Structures for Enhanced Electrocatalytic Hydrogen Evolution.Adv. Mater. 2016, 28, 2077–2084
[28]Shi Chen,† Xijun Wang,† Lele Fan, Guangming Liao, Yuliang Chen, Wangsheng Chu, Li Song, Jun Jiang,* Chongwen Zou*.The Dynamic Phase Transition Modulation of Ion‐Liquid Gating VO2 Thin Film: Formation, Diffusion, and Recovery of Oxygen Vacancies.Adv. Funct. Mater. 2016, 26, 3532-3541
[29]Li Yang,† Xijun Wang,† Guozhen Zhang, Xiaofeng Chen, Guoqing Zhang, Jun Jiang*.Aggregation-Induced Intersystem Crossing: A Novel Strategy for Efficient Molecular Phosphorescence.Nanoscale 2016, 8, 17422–17426
[30]Song Bai,† Xijun Wang,† Canyu Hu, Maolin Xie, Jun Jiang*, Yujie Xiong*.Two-dimensional g-C3N4: an ideal platform for examining facet selectivity of metal co-catalysts in photocatalysis.Chem. Commun. 2014, 50, 6094–6097
[31]Rui Huang,† Xijun Wang,† Dingli Wang, Fang Liu, Bin Mei, Anming Tang, Jun Jiang,* Gaolin Liang*.Multifunctional Fluorescent Probe for Sequential Detections of Glutathione and Caspase-3 in Vitro and in Cells.Anaal. Chem. 2013, 85, 13, 6203–6207
[32]Meng Shen,† Ali Han,† Xijun Wang,† Yun Goo Ro, Alireza Kargar, Yue Lin, Hua Guo, Pingwu Du,* Jun Jiang, Jingyu Zhang, Shadi A. Dayeh, Bin Xiang*.Atomic Scale Analysis of the Enhanced Electro- and Photo-Catalytic Activity in High-Index Faceted Porous NiO Nanowires.Sci. Rep. 2015, 5, 17, 8557
会议论文：
[1]江俊, 李喜玉, 王翕君 & 杨丽. (2014). 复杂分子体系电子运动模拟研究. (eds.) 中国化学会第29届学术年会摘要集——第15分会：理论化学方法和应用 (pp.4).
[2]王翕君 & 江俊. (2014). 半导体-金属复合结构催化活性模拟研究. (eds.) 中国化学会第29届学术年会摘要集——第15分会：理论化学方法和应用 (pp.148).
[3]江俊, 李喜玉, 王翕君 & 杨丽. (2014). 复杂分子体系电子运动模拟研究. (eds.) 中国化学会第十二届全国量子化学会议论文摘要集 (pp.128).
[4]王翕君 & 江俊. (2014). 半导体-金属复合结构催化活性模拟研究. (eds.) 中国化学会第十二届全国量子化学会议论文摘要集 (pp.519)
学位论文：
[1]王翕君. 纳米材料设计及电荷极化调控[D]. 中国科学技术大学, 2017.
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