Xijun Wang

Accelerated Perovskite Oxide Development for Thermochemical Energy Storage by a High‐Throughput Combinatorial Approach

Advanced Energy Materials, 13(18).

Charge Steering in Heterojunction Photocatalysis: General Principles, Design, Construction, and Challenges

Eshete, M., Li, X., Yang, L., Wang, X., Zhang, J., Xie, L., … Jiang, J. (2023, January 4). Small Science.

Computational Screening of Supported Metal Oxide Nanoclusters for Methane Activation: Insights into Homolytic versus Heterolytic C–H Bond Dissociation

Doan, H. A., Wang, X., & Snurr, R. Q. (2023, May 24). The Journal of Physical Chemistry Letters.

Lithium carbonate-promoted mixed rare earth oxides as a generalized strategy for oxidative coupling of methane with exceptional yields

Nature Communications, 14(1).

Structure–Activity Relationship Insights for Organophosphonate Hydrolysis at Ti(IV) Active Sites in Metal–Organic Frameworks

Mian, M. R., Wang, X., Wang, X., Kirlikovali, K. O., Xie, H., Ma, K., … Farha, O. K. (2023, March 15). Journal of the American Chemical Society.

Alkali metal halide–coated perovskite redox catalysts for anaerobic oxidative dehydrogenation of n -butane

Gao, Y., Wang, X., Corolla, N., Eldred, T., Bose, A., Gao, W., & Li, F. (2022, July 27). Science Advances, Vol. 8.

High-throughput oxygen chemical potential engineering of perovskite oxides for chemical looping applications

Wang, X., Gao, Y., Krzystowczyk, E., Iftikhar, S., Dou, J., Cai, R., … Li, F. (2022, January 1). Energy & Environmental Science, Vol. 15, pp. 1512–1528.

Quantitatively Determining Surface–Adsorbate Properties from Vibrational Spectroscopy with Interpretable Machine Learning

Wang, X., Jiang, S., Hu, W., Ye, S., Wang, T., Wu, F., … Luo, Y. (2022, August 24). Journal of the American Chemical Society.

Ru-promoted perovskites as effective redox catalysts for CO₂ splitting and methane partial oxidation in a cyclic redox scheme

Nanoscale, 14(48), 18094–18105.

Selective catalytic oxidation of ammonia to nitric oxide via chemical looping

Ruan, C., Wang, X., Wang, C., Zheng, L., Li, L., Lin, J., … Wang, X. (2022, February 7). Nature Communications, Vol. 13.

A tailored multi-functional catalyst for ultra-efficient styrene production under a cyclic redox scheme

Zhu, X., Gao, Y., Wang, X., Haribal, V., Liu, J., Neal, L. M., … Li, F. (2021, February 26). Nature Communications, Vol. 12.

Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C₂N

Zhong, W., Qiu, Y., Shen, H., Wang, X., Yuan, J., Jia, C., … Jiang, J. (2021, March 11). Journal of the American Chemical Society, Vol. 143, pp. 4405–4413.

Liquid Metal Shell as an Effective Iron Oxide Modifier for Redox-Based Hydrogen Production at Intermediate Temperatures

Wang, I., Gao, Y., Wang, X., Cai, R., Chung, C., Iftikhar, S., … Li, F. (2021, August 3). ACS Catalysis, Vol. 8, pp. 10228–10238.

Molten-salt-mediated carbon dioxide capture and superequilibrium utilization with ethane oxidative dehydrogenation

Liu, J., Gao, Y., Wang, X., & Li, F. (2021, July 1). Cell Reports Physical Science, Vol. 7.

Net Electronic Charge as an Effective Electronic Descriptor for Oxygen Release and Transport Properties of SrFeO₃-Based Oxygen Sorbents

Wang, X., Krzystowczyk, E., Dou, J., & Li, F. (2021, March 17). Chemistry of Materials, Vol. 33, pp. 2446–2456.

One-step synthesis of single-site vanadium substitution in 1T-WS2 monolayers for enhanced hydrogen evolution catalysis

Han, A., Zhou, X., Wang, X., Liu, S., Xiong, Q., Zhang, Q., … Li, Y. (2021, January 29). Nature Communications, Vol. 12.

Regulating Electronic Spin Moments of Single-Atom Catalyst Sites via Single-Atom Promoter Tuning on S-Vacancy MoS₂ for Efficient Nitrogen Fixation

Dang, Q., Tang, S., Liu, T., Li, X., Wang, X., Zhong, W., … Jiang, J. (2021, August 25). The Journal of Physical Chemistry Letters, Vol. 8, pp. 8355–8362.

Selective catalytic oxidation of ammonia to nitric oxide via chemical looping

Ruan, C., Wang, X., Wang, X., Wang, C., Li, L., Lin, J., … Wang, X. (2021, April 15).

Spatial Confinement of a Carbon Nanocone for an Efficient Oxygen Evolution Reaction

Wu, F., Zhan, S., Yang, L., Zhuo, Z., Wang, X., Li, X., … Jiang, J. (2021, February 26). The Journal of Physical Chemistry Letters, Vol. 12, pp. 2252–2258.

Tunable Electric and Magnetic Properties of Transition Metal@N_xC_y‐Graphene Materials by Different Metal and Defect Types

Zhang, F., Liu, H., Tao, F., Wang, X., Cao, X., & Hu, W. (2021, August 19). Chemistry - An Asian Journal, Vol. 9.

A molten carbonate shell modified perovskite redox catalyst for anaerobic oxidative dehydrogenation of ethane

Gao, Y., Wang, X., Liu, J., Huang, C., Zhao, K., Zhao, Z., … Li, F. (2020, April 24). Science Advances, Vol. 6.

Azopyrazole-Based Photoswitchable Anion Receptor for Dihydrogen Phosphate Transport

Lv, S., Li, X., Yang, L., Wang, X., Zhang, J., Zhang, G., & Jiang, J. (2020, November 16). The Journal of Physical Chemistry A, Vol. 124, pp. 9692–9697.

Carbon Monoxide Oxidation Promoted by Surface Polarization Charges in a CuO/Ag Hybrid Catalyst

Wang, X., Jia, C., Sharman, E., Zhang, G., Li, X., & Jiang, J. (2020, February 13). Scientific Reports, Vol. 10.

Edge-effect enhanced catalytic CO oxidation by atomically dispersed Pt on nitride-graphene

Jia, C., Wang, X., Yin, H., Zhong, W., Sharman, E., Luo, Y., & Jiang, J. (2020, December 28). Journal of Materials Chemistry A.

Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface–Molecular Adsorbate Interactions

Wang, X., Ye, S., Hu, W., Sharman, E., Liu, R., Liu, Y., … Jiang, J. (2020, April 16). Journal of the American Chemical Society, Vol. 142, pp. 7737–7743.

Enabling Efficient Charge Separation for Optoelectronic Conversion via an Energy-Dependent Z-Scheme n-Semiconductor–Metal–p-Semiconductor Schottky Heterojunction

Eshete, M., Yang, L., Sharman, E., Li, X., Wang, X., Zhang, G., & Jiang, J. (2020, April 10). The Journal of Physical Chemistry Letters, Vol. 11, pp. 3313–3319.

Realizing a Not-Strong-Not-Weak Polarization Electric Field in Single-Atom Catalysts Sandwiched by Boron Nitride and Graphene Sheets for Efficient Nitrogen Fixation

Tang, S., Dang, Q., Liu, T., Zhang, S., Zhou, Z., Li, X., … Jiang, J. (2020, October 27). Journal of the American Chemical Society, Vol. 142, pp. 19308–19315.

Regulation of Electronic Structure of Graphene Nanoribbon by Tuning Long-Range Dopant–Dopant Coupling at Distance of Tens of Nanometers

Sun, J., Feng, S., Wang, X., Zhang, G., Luo, Y., & Jiang, J. (2020, July 30). The Journal of Physical Chemistry Letters, Vol. 11, pp. 6907–6913.

Sharp-tip enhanced catalytic CO oxidation by atomically dispersed Pt₁/Pt₂on a raised graphene oxide platform

Jia, C., Zhang, Y., Wang, X., Zhong, W., Prezhdo, O. V., Luo, Y., & Jiang, J. (2020, January 1). Journal of Materials Chemistry A.

Sr_1-xCa_xFe_1-yCo_yO_3-δ as facile and tunable oxygen sorbents for chemical looping air separation

Dou, J., Krzystowczyk, E., Wang, X., Richard, A. R., Robbins, T., & Li, F. (2020, March 4). Journal of Physics Energy, Vol. 2, p. 025007.

Substituted SrFeO₃ as robust oxygen sorbents for thermochemical air separation: correlating redox performance with compositional and structural properties

Krzystowczyk, E., Wang, X., Dou, J., Haribal, V., & Li, F. (2020, January 1). Physical Chemistry Chemical Physics, Vol. 22, pp. 8924–8932.

Tuning Phase Transitions in Metal Oxides by Hydrogen Doping: A First-Principles Study

Wang, Z., Wang, X., Sharman, E., Li, X., Yang, L., Zhang, G., & Jiang, J. (2020, January 23). The Journal of Physical Chemistry Letters.

Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls

Yu, H., Wang, Y., Wang, X., Zhang, J., Ye, S., Huang, Y., … Jiang, J. (2020, April 21). The Journal of Physical Chemistry A, Vol. 124, pp. 3844–3850.

A‐ and B‐site Codoped SrFeO₃ Oxygen Sorbents for Enhanced Chemical Looping Air Separation

Dou, J., Krzystowczyk, E., Wang, X., Robbins, T., Ma, L., Liu, X., & Li, F. (2019, November 10). ChemSusChem, Vol. 13, pp. 385–393.

Bandgap tuning of C3N monolayer: A first-principles study

Xie, L., Yang, L., Ge, W., Wang, X., & Jiang, J. (2019, January 8). Chemical Physics, Vol. 520, pp. 40–46.

Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O₂ Activation and CO Oxidation by Au–Cu Bimetallic Clusters on TiO₂(101)

Jia, C., Wang, X., Zhong, W., Wang, Z., Prezhdo, O. V., Luo, Y., & Jiang, J. (2019, February 11). ACS Applied Materials & Interfaces, Vol. 2, pp. 9629–9640.

Correction to “Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail””

Yang, T., Huang, Y., Yang, L., Li, X., Wang, X., Zhang, G., … Jiang, J. (2019, September 30). Correction to “Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail.”” The Journal of Physical Chemistry Letters, Vol. 10, pp. 6088–6088.

Correction to “Protecting the Nanoscale Properties of Ag Nanowires with a Solution-Grown SnO₂ Monolayer as Corrosion Inhibitor”

Zhao, Y., Wang, X., Yang, S., Kuttner, E., Taylor, A. A., Salemmilani, R., … Stucky, G. D. (2019, October 25). Correction to “Protecting the Nanoscale Properties of Ag Nanowires with a Solution-Grown SnO₂ Monolayer as Corrosion Inhibitor.” Journal of the American Chemical Society, Vol. 141, pp. 17950–17950.

Immobilizing copper-supported graphene with surface hydrogenation or hydroxylation: A first-principle study

Li, L., Yang, L., Wang, X., Ni, Y., Jiang, J., & Zhang, G. (2019, April 22). Chemical Physics, Vol. 523, pp. 183–190.

Isolating hydrogen from oxygen in photocatalytic water splitting with a carbon-quantum-dot/carbon-nitride hybrid

Wang, X., Jiang, X., Sharman, E., Yang, L., Li, X., Zhang, G., … Jiang, J. (2019, January 1). Journal of Materials Chemistry A, Vol. 7, pp. 6143–6148.

Modified Ceria for “Low‐Temperature” CO₂ Utilization: A Chemical Looping Route to Exploit Industrial Waste Heat

Haribal, V. P., Wang, X., Dudek, R., Paulus, C., Turk, B., Gupta, R., & Li, F. (2019, September 24). Advanced Energy Materials, Vol. 9, p. 1901963.

Ohmic contact formation mechanisms of TiN film on 4H–SiC

Wang, Z., Wang, X., Liu, W., Ji, X., & Wang, C. (2019, November 23). Ceramics International, Vol. 46, pp. 7142–7148.

Physically Close yet Chemically Separate Reduction and Oxidation Sites in Double-Walled Nanotubes for Photocatalytic Hydrogen Generation

Yang, L., Li, X., Huang, Y., Feng, S., Wang, X., Jiang, X., … Jiang, J. (2019, June 18). The Journal of Physical Chemistry Letters, Vol. 10, pp. 3739–3743.

Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail”

Yang, T., Huang, Y., Yang, L., Li, X., Wang, X., Zhang, G., … Jiang, J. (2019, May 22). Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail.” The Journal of Physical Chemistry Letters, Vol. 10, pp. 3129–3133.

Protecting the Nanoscale Properties of Ag Nanowires with a Solution-Grown SnO₂ Monolayer as Corrosion Inhibitor

Zhao, Y., Wang, X., Yang, S., Kuttner, E., Taylor, A. A., Salemmilani, R., … Stucky, G. D. (2019, August 22). Journal of the American Chemical Society, Vol. 141, pp. 13977–13986.

Bimetallic Pd/Co Embedded in Two-Dimensional Carbon-Nitride for Z-Scheme Photocatalytic Water Splitting

Xie, L., Li, X., Wang, X., Ge, W., Zhang, J., Jiang, J., & Zhang, G. (2018, December 28). The Journal of Physical Chemistry C, Vol. 12, pp. 1846–1851.

Energy Materials Design for Steering Charge Kinetics

Zhang, G., Yang, L., Wang, X., Wu, Z., Jiang, J., & Luo, Y. (2018, September 11). Advanced Materials, Vol. 9, p. 1801988.

Material descriptors for photocatalyst/catalyst design

Wang, X., Zhang, G., Yang, L., Sharman, E., & Jiang, J. (2018, May 8). Wiley Interdisciplinary Reviews Computational Molecular Science, Vol. 5, p. e1369.

Metal-enhanced hydrogenation of graphene with atomic pattern

Wang, X., Zhang, G., Wang, Z., Yang, L., Li, X., Jiang, J., & Luo, Y. (2018, November 27). Carbon, Vol. 143, pp. 700–705.

Combining photocatalytic hydrogen generation and capsule storage in graphene based sandwich structures

Yang, L., Li, X., Zhang, G., Cui, P., Wang, X., Jiang, X., … Jiang, J. (2017, July 6). Nature Communications, Vol. 8, p. 16049.

Insight into Electronic and Structural Reorganizations for Defect-Induced VO₂ Metal–Insulator Transition

Wang, X., Wang, Z., Zhang, G., & Jiang, J. (2017, June 21). The Journal of Physical Chemistry Letters, Vol. 8, pp. 3129–3132.

“Healing” Effect of Graphene Oxide in Achieving Robust Dilute Ferromagnetism in Oxygen-Deficient Titanium Dioxide

Zhu, Q., Wang, X., Jiang, J., & Xu, A.-W. (2017, October 9). The Journal of Physical Chemistry C, Vol. 121, pp. 22806–22814.

Aggregation-induced intersystem crossing: a novel strategy for efficient molecular phosphorescence

Yang, L., Wang, X., Zhang, G., Chen, X., Zhang, G., & Jiang, J. (2016, January 1). Nanoscale, Vol. 8, pp. 17422–17426.

Graphitic carbon nitride supported single-atom catalysts for efficient oxygen evolution reaction

Li, X., Cui, P., Zhong, W., Li, J., Wang, X., Wang, Z., & Jiang, J. (2016, January 1). Chemical Communications, Vol. 52, pp. 13233–13236.

Integration of Multiple Plasmonic and Co-Catalyst Nanostructures on TiO₂ Nanosheets for Visible-Near-Infrared Photocatalytic Hydrogen Evolution

Jiang, W., Bai, S., Wang, L., Wang, X., Yang, L., Li, Y., … Xiong, Y. (2016, February 2). Small, Vol. 12, pp. 1640–1648.

The Dynamic Phase Transition Modulation of Ion‐Liquid Gating VO₂ Thin Film: Formation, Diffusion, and Recovery of Oxygen Vacancies

Chen, S., Wang, Xi, Fan, L., Liao, G., Chen, Y., Chu, W., … Zou, C. (2016, March 22). Advanced Functional Materials, Vol. 26, pp. 3532–3541.

Trimetallic TriStar Nanostructures: Tuning Electronic and Surface Structures for Enhanced Electrocatalytic Hydrogen Evolution

Du, N., Wang, C., Wang, X., Lin, Y., Jiang, J., & Xiong, Y. (2016, January 12). Advanced Materials, Vol. 28, pp. 2077–2084.

Atomic Scale Analysis of the Enhanced Electro- and Photo-Catalytic Activity in High-Index Faceted Porous NiO Nanowires

Shen, M., Han, A., Wang, X., Ro, Y. G., Kargar, A., Lin, Y., … Xiang, B. (2015, February 24). Scientific Reports, Vol. 5.

Efficient and tunable fluorescence energy transfer via long-lived polymer excitons

Chen, W., Sun, X., Wang, X., Huang, Q., Li, X., Zhang, Q., … Zhang, G. (2015, January 1). Polymer Chemistry, Vol. 6, pp. 1698–1702.

Controllably Interfacing with Metal: A Strategy for Enhancing CO Oxidation on Oxide Catalysts by Surface Polarization

Bai, Y., Zhang, W., Zhang, Z., Zhou, J., Wang, X., Wang, C., … Xiong, Y. (2014, October 8). Journal of the American Chemical Society, Vol. 136, pp. 14650–14653.

Designing p‐Type Semiconductor–Metal Hybrid Structures for Improved Photocatalysis

Wang, L., Ge, J., Wang, A., Deng, M., Wang, X., Bai, S., … Xiong, Y. (2014, April 2). Angewandte Chemie, Vol. 126, pp. 5207–5211.

Integration of an Inorganic Semiconductor with a Metal–Organic Framework: A Platform for Enhanced Gaseous Photocatalytic Reactions

Li, R., Hu, J., Deng, M., Wang, H., Wang, X., Hu, Y., … Xiong, Y. (2014, May 23). Advanced Materials, Vol. 26, pp. 4783–4788.

Metal–Organic Frameworks: Integration of an Inorganic Semiconductor with a Metal–Organic Framework: A Platform for Enhanced Gaseous Photocatalytic Reactions (Adv. Mater. 28/2014)

Li, R., Hu, J., Deng, M., Wang, H., Wang, X., Hu, Y., … Xiong, Y. (2014, July 1). Advanced Materials, Vol. 26, pp. 4907–4907.

Polymerization-Enhanced Intersystem Crossing: New Strategy to Achieve Long-Lived Excitons

Sun, X., Wang, X., Li, X., Ge, J., Zhang, Q., Jiang, J., & Zhang, G. (2014, December 4). Macromolecular Rapid Communications, Vol. 36, pp. 298–303.

Two-dimensional g-C₃N₄: an ideal platform for examining facet selectivity of metal co-catalysts in photocatalysis

Bai, S., Wang, X., Hu, C., Xie, M., Jiang, J., & Xiong, Y. (2014, January 1). Chemical Communications, Vol. 50, pp. 6094–6097.

Labeling Thiols on Proteins, Living Cells and Tissues with Enhanced Emission Induced by FRET

Yuan, Y., Wang, X., Mei, B., Zhang, D., Tang, A., An, L., … Liang, G. (2013, December 17). Scientific Reports, Vol. 3.

Multifunctional Fluorescent Probe for Sequential Detections of Glutathione and Caspase-3 in Vitro and in Cells

Huang, R., Wang, X., Wang, D., Liu, F., Mei, B., Tang, A., … Liang, G. (2013, June 21). Analytical Chemistry, Vol. 85, pp. 6203–6207.