Dr. Wang has significant experience in developing and employing multi-scale modeling methods (e.g., DFT and molecular dynamics) and cross-field techniques such as Machine learning for simulating charge kinetics and redox properties in complex systems. He targets a wide range of physical or chemical applications, including photo-/electro-/thermal-catalysis and functional materials, to gain new insights and accelerate novel materials’ design and discovery. He has participated extensively in many international collaborations and has made significant contributions to many important interdisciplinary projects. He has published 60+ papers in prestigious journals such as J. Am. Chem. Soc., Nat. Commun., J. Mater. Chem. A, Adv. Mater. etc. He has served as a reviewer for 30+ prestigious peer-reviewed journals such as Phys. Rev. Lett., Nat. Commun., Adv. Theory Simul. , Phys. Chem. Chem. Phys., etc.

Works (66)

Updated: August 2nd, 2023 21:14

2023 article

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

Cai, R., Bektas, H., Wang, X., McClintock, K., Teague, L., Yang, K., & Li, F. (2023, March 22). ADVANCED ENERGY MATERIALS, Vol. 3.

By: R. Cai n, H. Bektas n, X. Wang n, K. McClintock n, L. Teague n, K. Yang n, F. Li n

author keywords: energy storage; high-throughput screening; mixed oxides; perovskites; redox
Sources: Web Of Science, NC State University Libraries, ORCID
Added: March 23, 2023

2023 journal article

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

Small Science.

By: M. Eshete*, X. Li*, L. Yang*, X. Wang*, J. Zhang*, L. Xie*, L. Deng*, G. Zhang*, J. Jiang*

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2023 journal article

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

The Journal of Physical Chemistry Letters.

By: H. Doan*, X. Wang* & R. Snurr*

Source: ORCID
Added: May 25, 2023

2023 journal article

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

Journal of the American Chemical Society.

Source: ORCID
Added: May 4, 2023

2022 journal article

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

SCIENCE ADVANCES, 8(30).

By: Y. Gao n, X. Wang n, N. Corolla n, T. Eldred n, A. Bose n, W. Gao n, F. Li n

Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 7, 2022

2022 article

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, February 18). ENERGY & ENVIRONMENTAL SCIENCE, Vol. 15.

By: X. Wang n, Y. Gao n, E. Krzystowczyk n, S. Iftikhar n, J. Dou n, R. Cai n, H. Wang n, C. Ruan n, S. Ye*, F. Li n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: March 7, 2022

2022 journal article

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

Journal of the American Chemical Society.

By: X. Wang*, S. Jiang*, W. Hu*, S. Ye*, T. Wang*, F. Wu*, L. Yang*, X. Li* ...

MeSH headings : Adsorption; Machine Learning; Spectrum Analysis, Raman / methods; Surface Properties; Vibration
TL;DR: The demonstrated ability of quantitative determination of hard-to-measure microscopic properties using machine-learned spectroscopy will significantly broaden the applicability of conventional spectroscopic techniques for materials design and high throughput screening under operando conditions. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2022 article

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

Iftikhar, S., Martin, W., Wang, X., Liu, J., Gao, Y., & Li, F. (2022, November 14). NANOSCALE, Vol. 11.

By: S. Iftikhar n, W. Martin n, X. Wang n, J. Liu n, Y. Gao n & F. Li n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: December 1, 2022

2022 journal article

Selective catalytic oxidation of ammonia to nitric oxide via chemical looping

NATURE COMMUNICATIONS, 13(1).

Sources: Web Of Science, ORCID, NC State University Libraries
Added: February 21, 2022

2021 journal article

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

NATURE COMMUNICATIONS, 12(1).

By: X. Zhu n, Y. Gao n, X. Wang n, V. Haribal n, J. Liu n, L. Neal n, Z. Bao*, Z. Wu*, H. Wang*, F. Li n

Contributors: X. Zhu n, Y. Gao n, X. Wang n, V. Haribal n, J. Liu n, L. Neal n, Z. Bao*, Z. Wu*, H. Wang*, F. Li n

TL;DR: A redox oxidative dehydrogenation (redox-ODH) strategy to efficiently produce styrene is reported, showing excellent long-term performance under industrially compatible conditions and leading to 82% energy savings and 79% CO2 emission reduction. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: April 5, 2021

2021 journal article

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

Journal of Materials Chemistry A.

By: C. Jia*, X. Wang*, H. Yin*, W. Zhong*, E. Sharman*, Y. Luo*, J. Jiang*

Source: ORCID
Added: May 4, 2023

2021 journal article

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

Journal of the American Chemical Society, 143(11), 4405–4413.

TL;DR: It is found that the change of electronic spin moments of Fe and O2 due to molecular-catalyst adsorption scales with the amount of electron transfer from Fe to O2, which promotes the catalytic activity of C2N-Fe for driving ORR. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2021 journal article

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

ACS CATALYSIS, 11(16), 10228–10238.

By: I. Wang n, Y. Gao n, X. Wang n, R. Cai n, C. Chung n, S. Iftikhar n, W. Wang*, F. Li n

author keywords: liquid metal; core-shell; chemical looping; hydrogen production; redox catalyst
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: September 7, 2021

2021 journal article

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

CELL REPORTS PHYSICAL SCIENCE, 2(7).

By: J. Liu n, Y. Gao n, X. Wang n & F. Li n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 16, 2021

2021 journal article

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

CHEMISTRY OF MATERIALS, 33(7), 2446–2456.

By: X. Wang n, E. Krzystowczyk n, J. Dou n & F. Li n

Contributors: X. Wang n, E. Krzystowczyk n, J. Dou n & F. Li n

UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: May 24, 2021

2021 journal article

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

NATURE COMMUNICATIONS, 12(1).

By: A. Han*, X. Zhou*, X. Wang n, S. Liu*, Q. Xiong*, Q. Zhang*, L. Gu*, Z. Zhuang* ...

Contributors: A. Han*, X. Zhou*, X. Wang n, S. Liu*, Q. Xiong*, Q. Zhang*, L. Gu*, Z. Zhuang* ...

TL;DR: Density functional theory (DFT) calculations demonstrate that the activated V-atom sites play vital important role in enhancing the HER activity and opens a novel path to directly synthesize atomically dispersed single-metal catalysts on metastable materials as efficient and robust electrocatalysts. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: May 10, 2021

2021 journal article

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

The Journal of Physical Chemistry Letters, 8, 8355–8362.

By: Q. Dang, S. Tang*, T. Liu*, X. Li*, X. Wang*, W. Zhong*, Y. Luo*, J. Jiang*

TL;DR: By changing only the adsorption site of the TM atom, a novel strategy for regulating the electronic spin moments by tuning a single-atom promoter (SAP) is proposed, able to change the spin moments of the Mo atom, over a wide range of tunable values. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2021 article

Selective catalytic oxidation of ammonia to nitric oxide via chemical looping

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

By: C. Ruan*, X. Wang*, C. Wang*, L. Li*, J. Lin*, X. Liu*, F. Li n, X. Wang*

Source: ORCID
Added: August 7, 2022

2021 journal article

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

The Journal of Physical Chemistry Letters, 12(9), 2252–2258.

TL;DR: The studied mechanisms of the spatial confinement of a carbon nanocone provide a new perspective for designing efficient OER catalysts and can be used to enhance OER activity by distance-dependent interaction between intermediates through two different mechanisms. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2021 article

Tunable Electric and Magnetic Properties of Transition Metal@NxCy-Graphene Materials by Different Metal and Defect Types

Zhang, F., Liu, H., Tao, F., Wang, X., Cao, X., & Hu, W. (2021, September 3). CHEMISTRY-AN ASIAN JOURNAL, Vol. 9.

By: F. Zhang*, H. Liu*, F. Tao*, X. Wang n, X. Cao* & W. Hu*

author keywords: Nano Materials; Physical Chemistry; Theoretical Simulations
TL;DR: This work systematically investigates the effect of different metal and defect types on the electro-magnetic properties of TM@NxCy-GR materials using first principles calculations, and finds that different TM and defect type largely affects the magnetic moment. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: September 20, 2021

2020 journal article

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

SCIENCE ADVANCES, 6(17).

Contributors: Y. Gao n, X. Wang n, J. Liu n, C. Huang*, K. Zhao*, Z. Zhao*, X. Wang*, F. Li n

TL;DR: Spectroscopy measurements and density functional theory calculations indicate that Fe4+→Fe3+ transition is responsible for the peroxide formation, which results in both exothermic ODH and air reoxidation steps, which provides a generalized approach for designing CL-ODH redox catalysts. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: May 26, 2020

2020 journal article

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

CHEMSUSCHEM, 13(2), 385–393.

By: J. Dou n, E. Krzystowczyk n, X. Wang n, T. Robbins n, L. Ma*, X. Liu*, F. Li n

Contributors: J. Dou n, E. Krzystowczyk n, X. Wang n, T. Robbins n, L. Ma*, X. Liu*, F. Li n

author keywords: air separation; chemical looping; density functional theory; sorbents; perovskites
TL;DR: Electrical conductivity relaxation (ECR) study demonstrates co-doping of Ca and Co lowers activation energy of oxygen diffusion and surface oxygen exchange by 26.6 and 137.9 kJ/mol accordingly, resulting in fast redox kinetics of SCFC comparing to SCF perovskite. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: December 30, 2019

2020 journal article

Azopyrazole-Based Photoswitchable Anion Receptor for Dihydrogen Phosphate Transport

JOURNAL OF PHYSICAL CHEMISTRY A, 124(47), 9692–9697.

MeSH headings : Anions; Azo Compounds / chemistry; Density Functional Theory; Ion Transport; Isomerism; Light; Phosphates / chemistry; Pyrazoles / chemistry
TL;DR: A novel tetramethylamide-3pzH (3 pzH_TA) photoswitchable receptor that achieves highly efficient and durable anion transportation and opens up a new strategy for the rational design and understanding of new types of Photoswitchable anion receptors. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: February 1, 2021

2020 journal article

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

SCIENTIFIC REPORTS, 10(1).

By: X. Wang*, C. Jia, E. Sharman*, G. Zhang*, X. Li* & J. Jiang*

TL;DR: A semiconductor-metal hybrid structure (CuO/Ag) for CO oxidation that possesses very promising activity and a synergistic mechanism underlying the recovery process of this catalyst, which could significantly promote the recovery of oxygen vacancy created via the M-vK mechanism are proposed. (via Semantic Scholar)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: September 14, 2020

2020 journal article

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

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 142(17), 7737–7743.

By: X. Wang n, S. Ye*, W. Hu*, E. Sharman*, R. Liu*, Y. Liu*, Y. Luo*, J. Jiang*

TL;DR: This work shows that the electric dipole moment can serve as a convenient yet accurate descriptor for establishing structure-property relationships for molecular adsorbates on metal catalyst surfaces, and training a machine-learning neural network achieves quick and accurate predictions of molecular adsorption energy and transferred charge. (via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: May 26, 2020

2020 journal article

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

The Journal of Physical Chemistry Letters, 11(9), 3313–3319.

By: M. Eshete*, L. Yang*, E. Sharman*, X. Li*, X. Wang*, G. Zhang*, J. Jiang*

TL;DR: This work investigates two ternary heterostructures, CdS-Au-PdO and SnO2-W-Ag2O, in which the electronic Fermi levels line up by virtue of the presence of an intermediate metal layer, and proposes a Z-scheme Sn-m-Sp heterojunction as a viable avenue for achieving broad spectrum sunlight absorption, and importantly, energy-dependent charge separation. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2020 journal article

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

CERAMICS INTERNATIONAL, 46(6), 7142–7148.

By: Z. Wang*, X. Wang n, W. Liu*, X. Ji* & C. Wang*

author keywords: SiC; TiN; Thin film; Ohmic contact; First-principle calculations; Schottky barrier height reduction
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries, ORCID
Added: April 14, 2020

2020 journal article

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

Journal of the American Chemical Society, 142(45), 19308–19315.

By: S. Tang*, Q. Dang, T. Liu*, S. Zhang*, Z. Zhou*, X. Li*, X. Wang*, E. Sharman*, Y. Luo*, J. Jiang*

TL;DR: BN/Ti/G and BN/V/G are identified as promising NRR catalysts with high stability, offering excellent energy efficiency and suppression of the competing hydrogen evolution reaction. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2020 journal article

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

The Journal of Physical Chemistry Letters, 11(16), 6907–6913.

TL;DR: First-principles study on multiple H, O, OH, and FeN4 dopants in long GNRs found that GNR's electronic density of states (DOS) exhibits wave-like oscillation modulated by dopants separated at a distance up to 100 nm, which strongly infers the purely quantum mechanical resonance states constrained between double quantum wells. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2020 journal article

Sharp-tip enhanced catalytic CO oxidation by atomically dispersed Pt1/Pt2 on a raised graphene oxide platform

Journal of Materials Chemistry A.

Source: ORCID
Added: May 4, 2023

2020 journal article

Sr1-xCaxFe1-yCoyO3-delta as facile and tunable oxygen sorbents for chemical looping air separation

JOURNAL OF PHYSICS-ENERGY, 2(2).

By: J. Dou n, E. Krzystowczyk n, X. Wang n, A. Richard, T. Robbins n & F. Li n

Contributors: J. Dou n, E. Krzystowczyk n, X. Wang n, A. Richard, T. Robbins n & F. Li n

author keywords: oxygen sorbent; chemical looping; air separation; perovskite; redox
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: October 12, 2020

2020 journal article

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

Physical Chemistry Chemical Physics, 22(16), 8924–8932.

By: E. Krzystowczyk n, X. Wang n, J. Dou n, V. Haribal n & F. Li n

Contributors: E. Krzystowczyk n, X. Wang n, J. Dou n, V. Haribal n & F. Li n

TL;DR: A systematic approach was developed to correlate the oxygen storage capacities with the sorbents' compositional properties and vacancy formation energies, and dopants such as Ba and Mn have been identified for tuning the redox property of SrFeO3 Sorbents. (via Semantic Scholar)
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Source: ORCID
Added: June 4, 2020

2020 journal article

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

The Journal of Physical Chemistry Letters.

Xijun Wang

TL;DR: Hydrogen-doping is established as an alternative strategy for modulating phase transitions in metal oxide semiconductors, offering the possibility of precisely tuning the material's free-carrier concentration, electrical conductance, and photo-absorption ability. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2020 journal article

Using Machine Learning to Predict the Dissociation Energy of Organic Carbonyls

JOURNAL OF PHYSICAL CHEMISTRY A, 124(19), 3844–3850.

By: H. Yu*, Y. Wang*, X. Wang n, J. Zhang*, S. Ye*, Y. Huang*, Y. Luo*, E. Sharman*, S. Chen*, J. Jiang*

TL;DR: This work has combined first-principles calculations and machine learning techniques, including neural networks and random forest, to explore the inner relationships between carbonyl structure and its BDE, and shows that machine learning can not only effectively reproduce the computed BDEs of carbonyls, but also serve as guidance for the rational design of carbonies aimed at optimizing performance. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 15, 2020

2019 journal article

Bandgap tuning of C3N monolayer: A first-principles study

Chemical Physics, 520, 40–46.

By: L. Xie*, L. Yang*, W. Ge*, X. Wang* & J. Jiang*

Source: ORCID
Added: May 4, 2023

2019 journal article

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

The Journal of Physical Chemistry C, 123(3), 1846–1851.

Source: ORCID
Added: May 4, 2023

2019 journal article

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

ACS Applied Materials & Interfaces, 2(9), 9629–9640.

TL;DR: Because of the strong dipole-dipole interaction between the surface and the adsorbate on the oxidized Cu site, the adsorption of CO + O2/CO + O can be significantly enhanced, which can decrease the CO oxidation barriers and further improve catalytic performance. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2019 journal article

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

Correction to “Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail.”” The Journal of Physical Chemistry Letters, 10(20), 6088–6088.

By: T. Yang, Y. Huang, L. Yang, X. Li, X. Wang*, G. Zhang, Y. Luo, J. Jiang

Source: ORCID
Added: May 4, 2023

2019 journal article

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

Correction to “Protecting the Nanoscale Properties of Ag Nanowires with a Solution-Grown SnO2 Monolayer as Corrosion Inhibitor.” Journal of the American Chemical Society, 141(44), 17950–17950.

By: Y. Zhao, X. Wang*, S. Yang, E. Kuttner, A. Taylor, R. Salemmilani, X. Liu, M. Moskovits ...

Source: ORCID
Added: May 4, 2023

2019 journal article

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

Chemical Physics, 523, 183–190.

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2019 journal article

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

Journal of Materials Chemistry A, 7(11), 6143–6148.

Source: ORCID
Added: May 4, 2023

2019 journal article

Metal-enhanced hydrogenation of graphene with atomic pattern

Carbon, 143, 700–705.

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2019 journal article

Modified Ceria for "Low-Temperature" CO2 Utilization: A Chemical Looping Route to Exploit Industrial Waste Heat

ADVANCED ENERGY MATERIALS, 9(41).

By: V. Haribal n, X. Wang n, R. Dudek n, C. Paulus n, B. Turk, R. Gupta*, F. Li n

Contributors: V. Haribal n, X. Wang n, R. Dudek n, C. Paulus n, B. Turk, R. Gupta*, F. Li n

author keywords: chemical looping; CO2 utilization; redox catalyst; reforming; syngas
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: October 14, 2019

2019 journal article

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

The Journal of Physical Chemistry Letters, 10(13), 3739–3743.

TL;DR: The seamless integration of photocatalytic hydrogen generation and delivery in one system provides an alternative solution toward practical solar-driven hydrogen utilization. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2019 journal article

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

Protecting Single Atom Catalysts with Graphene/Carbon-Nitride “Chainmail.” The Journal of Physical Chemistry Letters, 10(11), 3129–3133.

TL;DR: It is found that a single TM atom can be strongly anchored between two graphene or carbon-nitride layers, forming stable sandwich structures of GR-TM-GR and C3N- TM-GR, suggesting an alternative way of managing high stability and activity for SAC systems simultaneously toward practical utilization. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2019 journal article

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

Journal of the American Chemical Society, 141(35), 13977–13986.

By: Y. Zhao*, X. Wang*, S. Yang*, E. Kuttner*, A. Taylor*, R. Salemmilani*, X. Liu*, M. Moskovits* ...

TL;DR: The results show that the deposition of monolayer SnO2 enables the preservation of high transparency and conductivity of Ag, and the thermal, electrical, and chemical stability properties reported are among the very best reported for transparent conductor materials to date. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2018 journal article

Energy Materials Design for Steering Charge Kinetics

Advanced Materials, 9, 1801988.

TL;DR: Two key strategies are presented: one is through the tuning of energy states and the other is to control spatial distributions of charges, which can be fine-tuned via purposeful adjustment of electronic structures. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2018 journal article

Material descriptors for photocatalyst/catalyst design

Wiley Interdisciplinary Reviews: Computational Molecular Science, 5, e1369.

By: X. Wang*, G. Zhang*, L. Yang*, E. Sharman* & J. Jiang*

Source: ORCID
Added: May 4, 2023

2017 journal article

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

Nature Communications, 8, 16049.

TL;DR: First-principles simulations demonstrate that a multi-layer structure where a carbon nitride is sandwiched between two graphene sheets modified by different functional groups can harvest light and deliver photo-generated holes to the outer graphene-based sheets for water splitting and proton generation. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2017 journal article

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

The Journal of Physical Chemistry Letters, 8(13), 3129–3132.

By: X. Wang*, Z. Wang*, G. Zhang* & J. Jiang*

TL;DR: First-principles calculations to examine electronic variations separately from structural reorganizations during MIT found that the oxygen defect induces electronic reorganization by creating polarized 3d orbitial electrons, while structure reorganization makes the conduction band edge states available for occupation. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2017 journal article

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

The Journal of Physical Chemistry C, 121(41), 22806–22814.

By: Q. Zhu*, X. Wang*, J. Jiang* & A. Xu*

Source: ORCID
Added: May 4, 2023

2016 journal article

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

Nanoscale, 8(40), 17422–17426.

TL;DR: The proposed AI-ISC mechanism may open up a new design approach for the emerging luminescent material applications because the emission spectra experience a red shift along with the aggregation, providing a convenient knob to tune the phosphorescence wavelength. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2016 journal article

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

Chemical Communications, 52(90), 13233–13236.

TL;DR: This work reveals the importance of local TM coordination in catalysts for the OER, which would lead to a new class of low-cost, durable and efficient OER catalysts. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2016 journal article

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

Small, 12(12), 1640–1648.

By: W. Jiang*, S. Bai*, L. Wang*, X. Wang*, L. Yang*, Y. Li*, D. Liu*, X. Wang* ...

TL;DR: An approach is developed to integrate dual plasmonic nanostructures with TiO2 semiconductor nanosheets for photocatalytic hydrogen production in visible and near-infrared spectral regions. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2016 journal article

The Dynamic Phase Transition Modulation of Ion-Liquid Gating VO2Thin Film: Formation, Diffusion, and Recovery of Oxygen Vacancies

Advanced Functional Materials, 26(20), 3532–3541.

Source: ORCID
Added: May 4, 2023

2016 journal article

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

Advanced Materials, 28(10), 2077–2084.

TL;DR: PtFeCo alloy nanostructures in a TriStar shape with tunable Fe and Co content are developed for the electrocatalytic hydrogen evolution reaction (HER). (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2015 journal article

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

Scientific Reports, 5(1).

By: M. Shen*, A. Han*, X. Wang*, Y. Ro*, A. Kargar*, Y. Lin*, H. Guo*, P. Du* ...

TL;DR: A novel catalytic performance of simple-synthesized porous NiO nanowires (NWs) as catalyst/co-catalyst for the hydrogen evolution reaction (HER) is reported, which offers long-term electrocatalytic stability of over one day and 45 times higher photocatalytic hydrogen production compared to commercial NiO nanoparticles. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2015 journal article

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

Polymer Chemistry, 6(10), 1698–1702.

UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2014 journal article

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

Journal of the American Chemical Society, 136(42), 14650–14653.

TL;DR: This work provides a new strategy for tuning catalytic performance by controlling interface in hybrid catalysts by maximizing the Ag-CuO interfacial length and thus the number of active sites on the CuO. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2014 journal article

Designing p-Type Semiconductor-Metal Hybrid Structures for Improved Photocatalysis

Angewandte Chemie, 126(20), 5207–5211.

Source: ORCID
Added: May 4, 2023

2014 journal article

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

Advanced Materials, 26(28), 4783–4788.

By: R. Li*, J. Hu*, M. Deng*, H. Wang*, X. Wang*, Y. Hu*, H. Jiang*, J. Jiang* ...

TL;DR: Ultrafast spectroscopy demonstrates that charge transfer can occur between photoexcited inorganic semiconductors and metal-organic frameworks (MOFs), supplying long-lifetime electrons for the reduction of gas molecules adsorbed on the MOF. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2014 journal article

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

Advanced Materials, 26(28), 4907–4907.

By: R. Li*, J. Hu*, M. Deng*, H. Wang*, X. Wang*, Y. Hu*, H. Jiang*, J. Jiang* ...

Source: ORCID
Added: May 4, 2023

2014 journal article

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

Macromolecular Rapid Communications, 36(3), 298–303.

MeSH headings : Luminescence; Molecular Structure; Polymerization; Spectrum Analysis
TL;DR: A strategy is proposed to create small ΔEST by polymerizing fluorescent dye molecules, the efficacy of which is justified by density functional theory calculations and ultrafast spectroscopy. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2014 journal article

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

Chem. Commun., 50(46), 6094–6097.

By: S. Bai*, X. Wang*, C. Hu*, M. Xie*, J. Jiang* & Y. Xiong*

TL;DR: Two-dimensional g-C3N4 nanosheets with few-layer thickness, ensuring equivalent charge migrations to various Pd facets, provide an ideal model system for reliably examining the facet selectivity of Pd co-catalysts. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

2013 journal article

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

Scientific Reports, 3(1).

MeSH headings : Animals; Brain; Cell Membrane / chemistry; Cysteine / analogs & derivatives; Cysteine / chemistry; Fluorescein-5-isothiocyanate / analogs & derivatives; Fluorescein-5-isothiocyanate / chemistry; Fluorescence Resonance Energy Transfer / methods; Fluorescent Dyes; Maleimides / chemistry; Membrane Proteins / analysis; Membrane Proteins / chemistry; Rats; Rats, Sprague-Dawley; Serum Albumin, Bovine / analysis; Serum Albumin, Bovine / chemistry; Staining and Labeling / methods; Sulfhydryl Compounds / chemistry
TL;DR: Enhanced fluorescence imaging of thiols on proteins, outer membranes of living cells, translocation of membrane proteins and endothelial cell layers of small arteries was successfully achieved and the underlying mechanism that satisfactorily explained the experimental results was revealed. (via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
Source: ORCID
Added: May 4, 2023

2013 journal article

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

Analytical Chemistry, 85(13), 6203–6207.

MeSH headings : Biosensing Techniques / methods; Caspase 3 / analysis; Cell Line, Tumor; Fluorescein-5-isothiocyanate / chemistry; Fluorescent Dyes / chemistry; Glutathione / analysis; Humans; Nanoparticles / chemistry; Spectrometry, Fluorescence / methods
TL;DR: A new "On-On" strategy based on the assembly and disassembly of fluorescein isothiocyanate nanoparticles (FITC-NPs) for sequential detections of glutathione and caspase-3 with a multifunctional fluorescent probe is reported. (via Semantic Scholar)
Source: ORCID
Added: May 4, 2023

Employment

Updated: September 28th, 2021 15:21

2021 - present

Northwestern University Evanston, IL, US
Chemical & Biological Engineering

2019 - 2021

North Carolina State University Raleigh, North Carolina, US
Chemical and Biomolecular Engineering

2017 - 2018

University of Science and Technology of China Hefei, Anhui, CN
Postdoctor Department of Physical Chemistry

Education

Updated: May 22nd, 2018 04:12

2012 - 2017

University of Science and Technology of China Hefei, Anhui, CN
Ph. D Department of Physical Chemistry

2015 - 2016

University of California Santa Barbara Santa Barbara, CA, US
Visiting Scholar Department of chemical engineering

2007 - 2011

Hefei University of Technology Hefei, Anhui, CN
Bachelor Scool of Materials Science and Engineering

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