100 total, 46 first/co-first (†)/corresponding author (*) More >> Google Scholar Page
Computational Chemistry and Machine Learning-Assisted Screening of Supported Amorphous Metal Oxide Nanoclusters for Methane Activation
Xijun Wang, Kaihang Shi, Anyang Peng, Randall Q. Snurr*
ACS Catal. 2024, 14, 18708–18721

Probing the structure–property relationships of supported copper oxide nanoclusters for methane activation
Xijun Wang, Kaihang Shi, Anyang Peng, Randall Q. Snurr*
EES Catal. 2024, 2 (1), 351-364

Fine-Tuning Dual Single-Atom Metal Sites on Graphene toward Enhanced Oxygen Reduction Reaction Activity
Evan Xie, Xijun Wang*
J. Phys. Chem. Lett. 2023, 14, 42, 9392–9402

Quantitatively Determining Surface−Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning
Xijun Wang, Shuang Jiang, Wei Hu, Sheng Ye, Tairan Wang, Fan Wu, Li Yang, Xiyu Li, Guozhen Zhang, Xin Chen,* Jun Jiang,* Yi Luo*
J. Am. Chem. Soc. 2022, 144, 35, 16069–16076

High-Throughput Oxygen Chemical Potential Engineering of Perovskite Oxides for Chemical Looping Applications
Xijun Wang, Yunfei Gao, Emily Krzystowczyk, Sherafghan Iftikhar, Jian Dou, Runxia Cai, Haiying Wang, Chongyan Ruan, Sheng Ye, Fanxing Li*
Energy Environ. Sci. 2022, 15, 1512-1528

Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface–Molecular Adsorbate Interactions
Xijun Wang, Sheng Ye, Wei Hu, Edward Sharman, Ran Liu, Yan Liu, Yi Luo, Jun Jiang*
J. Am. Chem. Soc. 2020, 142, 17, 7737–7743

Isolating hydrogen from oxygen in photocatalytic water splitting with a carbon-quantum-dot/carbon-nitride hybrid
Xijun Wang, Xiang Jiang, Edward Sharman, Li Yang, Xiyu Li, Guozhen Zhang, Jin Zhao, Yi Luo, Jun Jiang*
J. Mater. Chem. A 2019, 7, 6143-6148
Metal-enhanced hydrogenation of graphene with atomic pattern
Xijun Wang, Guozhen Zhang, Zhaowu Wang, Li Yang, Xiyu Li, Jun Jiang,* Yi Luo*
Carbon 2019, 143, 700–705
Material descriptors for photocatalyst/catalyst design
Xijun Wang, Guozhen Zhang, Li Yang, Edward Sharman, Jun Jiang*
WIREs Comput. Mol. Sci. 2018, e1369
Insight into Electronic and Structural Reorganizations for Defect-Induced VO2 Metal–Insulator Transition
Xijun Wang, Zhaowu Wang, Guozhen Zhang, Jun Jiang*
J. Phys. Chem. Lett. 2017, 8, 13, 3129–3132
Net Electronic Charge as an Effective Electronic Descriptor for Oxygen Release and Transport Properties of SrFeO3-based Oxygen Sorbents
Xijun Wang, Emily Krzystowczyk, Jian Dou, Fanxing Li*
Chem. Mater. 2021, 33, 7, 2446–2456
Carbon Monoxide Oxidation Promoted by Surface Polarization Charges in a CuO/Ag Hybrid Catalyst
Xijun Wang, Chuanyi Jia, Edward Sharman, Guozhen Zhang, Xin Li,* Jun Jiang
Sci. Rep. 2020, 10, 1, 1-9
Bandgap tuning of C3N monolayer: A first-principles study
Liyan Xie, Li Yang, Wanying Ge, Xijun Wang,* Jun Jiang
Chem. Phys. 2019, 520, 1, 40–46
Structure–Activity Relationship Insights for Organophosphonate Hydrolysis at Ti(IV) Active Sites in Metal–Organic Frameworks
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*
J. Am. Chem. Soc. 2023, 145, 13, 7435–7445
Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High-Throughput Combinatorial Approach
Runxia Cai,† Hilal Bektas,† Xijun Wang,† Kyle McClintock, Lauren Teague, Kunran Yang, Fanxing Li*
Adv. Energy Mater. 2023, 2203833
Alkali metal halide–coated perovskite redox catalysts for anaerobic oxidative dehydrogenation of n-butane
Yunfei Gao,† Xijun Wang,† Noel Corolla, Tim Eldred, Arnab Bose, Wenpei Gao, Fanxing Li*
Sci. Adv. 2022, 8, eabo7343
Selective catalytic oxidation of ammonia to nitric oxide via chemical looping
Chongyan Ruan,† Xijun Wang,† Chaojie Wang, Lirong Zheng, Lin Li, Jian Lin, Xiaoyan Liu, Fanxing Li,* Xiaodong Wang*
Nat. Commun. 2022, 13, 718
An Adjacent Atomic Platinum Site Enables Single-Atom Iron with High Oxygen Reduction Reaction Performance
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
Angew. Chem. Int. Ed. 2021, 60, 19262-19271
One-Step Synthesis of Single-Site Vanadium Substitution in 1T-WS2 Monolayers for Enhanced Hydrogen Evolution Catalysis
Ali Han,† Xiaofeng Zhou,† Xijun Wang,† Sheng Liu, Qihua Xiong, Wenjing Zhang, Fanxing Li, Dingsheng Wang,* Lain-Jong Li,* Yadong Li*
Nat. Commun. 2021, 12, 709
Edge-Effect Enhanced Catalytic CO Oxidation by Atomically Dispersed Pt on Nitride-Graphene
Chuanyi Jia,† Xijun Wang,† Huabing Yin, Wenhui Zhong, Edward Sharman, Yi Luo, Jun Jiang*
J. Mater. Chem. A 2021, 9, 4, 2093-2098.
Sharp-Tip Enhanced Catalytic CO Oxidation by Atomically Dispersed Pt1/Pt2 on Raised Graphene Oxide Platform
Chuanyi Jia,† Yujin Zhang,† Xijun Wang,† Wenhui Zhong, Oleg V. Prezhdo, Yi Luo, Jun Jiang*
J. Mater. Chem. A 2020, 8, 12485–12494
Substituted SrFeO3 as Robust Oxygen Sorbents for Thermochemical Air Separation: Correlating Redox Performance with Compositional and Structural Properties
Emily Krzystowczyk,† Xijun Wang,† Jian Dou, Vasudev Haribal, Fanxing Li*
Phys. Chem. Chem. Phys. 2020, 22, 8924–8932
Ohmic Contact Formation Mechanisms of TiN film on 4H-SiC
Zhongtao Wang,† Xijun Wang,† Wei Liu, Xiaoliang Ji, Chunqing Wang*
Ceram. Int. 2020, 46, 6, 7142–7148
Protecting the Nanoscale Properties of Ag Nanowires with an Epitaxially Grown Single SnO2 Monolayer as Corrosion Inhibitor
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*
J. Am. Chem. Soc. 2019, 141, 35, 13977–13986
Modified Ceria for “Low‐Temperature” CO2 Utilization: A Chemical Looping Route to Exploit Industrial Waste Heat
Vasudev Pralhad Haribal,† Xijun Wang,†, Ryan Dudek, Courtney Paulus, Brian Turk, Raghubir Gupta, Fanxing Li*
Adv. Energy Mater. 2019, 9, 41, 1901963

Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O2 Activation and CO Oxidation by Au−Cu Bimetallic Clusters on TiO2(101)
Chuanyi Jia,† Xijun Wang,† Wenhui Zhong, Zhunzhun Wang, Oleg V. Prezhdo, Yi Luo, Jun Jiang*
ACS Appl. Mater. Inter. 2019, 11, 9, 9629-9640

The “healing” effect of reduced graphene oxide in achieving robust room-temperature dilute ferromagnetism in oxygen deficient titanium dioxide
Qing Zhu,† Xijun Wang,† Jun Jiang*, An-Wu Xu*
J. Phys. Chem. C 2017, 121, 41, 22806–22814

Trimetallic TriStar Nanostructures: Tuning Electronic and Surface Structures for Enhanced Electrocatalytic Hydrogen Evolution
Nana Du,† Chengming Wang,† Xijun Wang,† Yue Lin, Jun Jiang, Yujie Xiong*
Adv. Mater. 2016, 28, 2077–2084

The Dynamic Phase Transition Modulation of Ion‐Liquid Gating VO2 Thin Film: Formation, Diffusion, and Recovery of Oxygen Vacancies
Shi Chen,† Xijun Wang,† Lele Fan, Guangming Liao, Yuliang Chen, Wangsheng Chu, Li Song, Jun Jiang,* Chongwen Zou*
Adv. Funct. Mater. 2016, 26, 3532-3541

Aggregation-Induced Intersystem Crossing: A Novel Strategy for Efficient Molecular Phosphorescence
Li Yang,† Xijun Wang,† Guozhen Zhang, Xiaofeng Chen, Guoqing Zhang, Jun Jiang*
Nanoscale 2016, 8, 17422–17426

Two-dimensional g-C3N4: an ideal platform for examining facet selectivity of metal co-catalysts in photocatalysis
Song Bai,† Xijun Wang,† Canyu Hu, Maolin Xie, Jun Jiang*, Yujie Xiong*
Chem. Commun. 2014, 50, 6094–6097

Multifunctional Fluorescent Probe for Sequential Detections of Glutathione and Caspase-3 in Vitro and in Cells
Rui Huang,† Xijun Wang,† Dingli Wang, Fang Liu, Bin Mei, Anming Tang, Jun Jiang,* Gaolin Liang*
Anaal. Chem. 2013, 85, 13, 6203–6207

Atomic Scale Analysis of the Enhanced Electro- and Photo-Catalytic Activity in High-Index Faceted Porous NiO Nanowires
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*
Sci. Rep. 2015, 5, 17, 8557



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