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 (67)
Updated: October 12th, 2024 05:01
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.
author keywords: energy storage; high-throughput screening; mixed oxides; perovskites; redox
open access via onlinelibrary.wiley.com (publisher PDF)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science; OpenAlex)
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.
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.
Source: ORCID
Added: May 25, 2023
2023 journal article
Lithium carbonate-promoted mixed rare earth oxides as a generalized strategy for oxidative coupling of methane with exceptional yields
NATURE COMMUNICATIONS, 14(1).
Sources: Web Of Science, NC State University Libraries
Added: October 8, 2024
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).
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
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.
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.
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.
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).
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
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).
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
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.
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).
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.
Contributors: 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).
Contributors: A. Han *, X. Zhou *, 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)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
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.
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).
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.
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
7. Affordable and Clean Energy
(Web of Science)
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).
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)
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
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
3. Good Health and Well-being
(Web of Science)
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).
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
Edge-effect enhanced catalytic CO oxidation by atomically dispersed Pt on nitride-graphene
Journal of Materials Chemistry A.
Source: ORCID
Added: May 4, 2023
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.
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
3. Good Health and Well-being
(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.
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
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.
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).
Contributors: J. Dou n, E. Krzystowczyk n, 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.
Contributors: E. Krzystowczyk n, 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.
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.
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
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: June 15, 2020
2019 journal article
A- and B-site Codoped SrFeO3 Oxygen Sorbents for Enhanced Chemical Looping Air Separation
CHEMSUSCHEM, 13(2), 385–393.
Contributors: J. Dou n, E. Krzystowczyk n, 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
2019 journal article
Bandgap tuning of C3N monolayer: A first-principles study
Chemical Physics, 520, 40–46.
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.
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.
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
Modified Ceria for "Low-Temperature" CO2 Utilization: A Chemical Looping Route to Exploit Industrial Waste Heat
ADVANCED ENERGY MATERIALS, 9(41).
Contributors: V. Haribal n , 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
Ohmic contact formation mechanisms of TiN film on 4H-SiC
CERAMICS INTERNATIONAL, 46(6), 7142–7148.
author keywords: SiC; TiN; Thin film; Ohmic contact; First-principle calculations; Schottky barrier height reduction
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(Web of Science)
Sources: Web Of Science, NC State University Libraries, ORCID
Added: April 14, 2020
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.
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
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
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.
Source: ORCID
Added: May 4, 2023
2018 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
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.
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.
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.
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).
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.
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.
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.
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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