| 2024-07 |
Illustrating the pertinacious interlayer charge compression effect in van der Waals heterointerfaces |
Applied Surface Science
|
| 2024-02 |
Recalibrating the Experimentally Derived Structure of the Metastable Surface Oxide on Copper via Machine Learning-Accelerated In Silico Global Optimization |
ACS nano
|
| 2024-01 |
Unlocking the key mechanism behind field-induced ferroelectric phase transition in sodium niobate for energy storage systems |
Journal of Materials Chemistry C
|
| 2024-01 |
The rise of ab initio surface thermodynamics |
Nature Catalysis
|
| 2023-12 |
Platinum single-atom catalysts anchored on a heterostructure cupric oxide/copper foam for accelerating photoelectrochemical hydrogen evolution reaction |
Nano Energy
|
| 2023-10 |
Direct characterization of intrinsic defects in monolayer ReSe2 on graphene |
Nanoscale Advances
|
| 2023-10 |
Nontypical Wulff-Shape Silicon Nanosheets with High Catalytic Activity |
Journal of the American Chemical Society
|
| 2023-08 |
Exploring anharmonic lattice dynamics and dielectric relations in niobate perovskites from first-principles self-consistent phonon calculations |
npj Computational Materials
|
| 2023-07 |
Quasi-random distribution of distorted nanostructures enhances thermoelectric performance of high-entropy chalcopyrite |
Nano Energy
|
| 2023-05 |
Facile synthesis of flexible and scalable Cu/Cu2O/CuO nanoleaves photoelectrodes with oxidation-induced self-initiated charge-transporting platform for photoelectrochemical water splitting enhancement |
Journal of Alloys and Compounds
|
| 2023-04 |
Order-disorder phase transition driven by interlayer sliding in lead iodides |
Nature Communications
|
| 2023-03 |
Oxidic structures on copper-gold alloy nanofacets |
Applied Surface Science
|
| 2022-12 |
In-plane optical and electrical anisotropy in low-symmetry layered GeS microribbons |
NPG Asia Materials
|
| 2022-09 |
Vertical Conductivity and Topography in Electrostrictive Germanium Sulfide Microribbon via Conductive Atomic Force Microscopy |
Nano Letters
|
| 2022-07 |
Explicating the irreversible electric-field-assisted ferroelectric phase transition in the otherwise antiferroelectric sodium niobate for energy storage systems |
JOURNAL OF MATERIALS CHEMISTRY C
|
| 2022-07 |
Alternative Cu3Zn catalysts for enhanced reduction of CO2 to CH4: A density functional theory-based approach |
Surfaces and Interfaces
|
| 2022-06 |
Composition-controlled ultrathin holey TiO1−xNx nanosheets as powerful hybridization matrices for highly mass-efficient electrocatalysts |
CHEMICAL ENGINEERING JOURNAL
|
| 2022-06 |
Activated chemical bonds in nanoporous and amorphous iridium oxides favor low overpotential for oxygen evolution reaction |
NATURE COMMUNICATIONS
|
| 2022-05 |
Using Feature-Assisted Machine Learning Algorithms to Boost Polarity in Lead-Free Multicomponent Niobate Alloys for High-Performance Ferroelectrics |
Advanced Science
|
| 2022-03 |
Direct observation of trapped charges at ReSe2 and graphene heterojunctions |
APPLIED SURFACE SCIENCE
|
| 2022-01 |
In Situ Defect Engineering Route to Optimize the Cationic Redox Activity of Layered Double Hydroxide Nanosheet via Strong Electronic Coupling with Holey Substrate |
Advanced Science
|
| 2021-10 |
Revisiting the Role of the Triple-Phase Boundary in Promoting the Oxygen Reduction Reaction in Aluminum-Air Batteries |
ADVANCED FUNCTIONAL MATERIALS
|
| 2021-10 |
Enhanced polarization in epitaxially strained monoclinic potassium niobate for lead-free electromechanical applications |
JOURNAL OF MATERIALS CHEMISTRY C
|
| 2021-10 |
Going beyond the equilibrium crystal shape: re-tracing the morphological evolution in group 5 tetradymite nanocrystals |
NANOSCALE
|
| 2021-10 |
Completing the picture of initial oxidation on copper |
APPLIED SURFACE SCIENCE
|
| 2021-06 |
First-Principles Calculations of Heteroanionic Monochalcogenide Alloy Nanosheets with Direction-dependent Properties for Anisotropic Optoelectronics |
ACS APPLIED NANO MATERIALS
|
| 2021-04 |
Color of Copper/Copper Oxide |
ADVANCED MATERIALS
|
| 2021-04 |
Hydrogen-doped viscoplastic liquid metal microparticles for stretchable printed metal lines |
NATURE MATERIALS
|
| 2021-03 |
Tunable Threshold Voltage of ZnTe-Based Ovonic Switching Devices via Isovalent Cation Exchange |
ACS Applied Electronic Materials
|
| 2021-02 |
Defect-mediated ab initio thermodynamics of metastable γ-MoN(001) |
JOURNAL OF CHEMICAL PHYSICS
|
| 2020-12 |
A computational survey of metal-free polyimide-based photocatalysts within the single-stranded polymer model |
Molecular Catalysis
|
| 2020-07 |
Atomic Structure and Work Function Modulations in Two-Dimensional Ultrathin CuI Films on Cu(111) from First-Principles Calculations |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2020-04 |
The mechanism of dynamic strain aging for type A serrations in tensile flow curves of Fe-18Mn-0.55C (wt.%) twinning-induced plasticity steel |
ACTA MATERIALIA
|
| 2020-03 |
Picosecond Competing Dynamics of Apparent Semiconducting-Metallic Phase Transition in the Topological Insulator Bi2Se3 |
ACS PHOTONICS
|
| 2019-12 |
Atomic order, electronic structure and thermodynamic stability of nickel aluminate |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2019-11 |
Revisiting Polytypism in Hexagonal Ternary Sulfide ZnIn<inf>2</inf>S<inf>4</inf> for Photocatalytic Hydrogen Production within the Z-Scheme |
CHEMISTRY OF MATERIALS
|
| 2019-11 |
Stretching-Driven Crystal Anisotropy and Optical Modulations of Flexible Wide Band Gap Inorganic Thin Films |
ACS APPLIED MATERIALS & INTERFACES
|
| 2019-11 |
Novel polymorphic phase of two-dimensional VSe2: the 1T' structure and its lattice dynamics |
NANOSCALE
|
| 2019-09 |
Non-dissociative adsorption of glycerol on the (111) surface of Ni and Pt-based metallic systems: Hints on reforming activity from d-band center |
Molecular Catalysis
|
| 2019-06 |
Phase Stability Diagrams of Group 6 Magnéli Oxides and Their Implications for Photon-Assisted Applications |
CHEMISTRY OF MATERIALS
|
| 2019-05 |
Growing Ultrathin Cu2O Films on Highly Crystalline Cu(111): A Closer Inspection from Microscopy and Theory |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2019-04 |
Polymorphic expressions of ultrathin oxidic layers of Mo on Au(111) |
NANOSCALE
|
| 2019-01 |
Bismuth Islands for Low-Temperature Sodium-Beta Alumina Batteries |
ACS APPLIED MATERIALS & INTERFACES
|
| 2018-10 |
Experimental demonstration of in situ stress-driven optical modulations in flexible semiconducting thin films with enhanced photo-detecting capability |
CHEMISTRY OF MATERIALS
|
| 2018-10 |
Origin of Prestress-Driven Optical Modulations of Flexible ZnO Thin Films Processed in Stretching Mode |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2018-10 |
Understanding the Enhancement of Ionic Transport in Heterogeneously Doped Zirconia by Heterointerface Engineering |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2018-09 |
Polytypism in Hexagonal Tungsten Trioxide: Insights from Ab Initio Molecular Dynamics Simulations |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2018-07 |
Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling |
CATALYSIS SCIENCE & TECHNOLOGY
|
| 2018-06 |
Effect of phonon confinement on the thermal conductivity In0.53Ga0.47As nanofilms |
JOURNAL OF APPLIED PHYSICS
|
| 2018-05 |
Over-Stoichiometry in Heavy Metal Oxides: The Case of lono-Covalent Tantalum Trioxides |
INORGANIC CHEMISTRY
|
| 2018-04 |
Anisotropic vacancy-mediated phonon mode softening in Sm and Gd doped ceria |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2018-04 |
Synthesis of Atomically Thin Transition Metal Ditelluride Films by Rapid Chemical Transformation in Solution Phase |
CHEMISTRY OF MATERIALS
|
| 2018-02 |
Disentangling the Effects of Inter- and Intra-octahedral Distortions on the Electronic Structure in Binary Metal Trioxides |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2018-02 |
Examining the rudimentary steps of the oxygen reduction reaction on single-atomic Pt using Ti-based non-oxide supports |
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
|
| 2018-02 |
Control over Electron-Phonon Interaction by Dirac Plasmon Engineering in the Bi2Se3 Topological insulator |
NANO LETTERS
|
| 2017-11 |
Designing Two-Dimensional Dirac Heterointerfaces of Few-Layer Graphene and Tetradymite-Type Sb2Te3 for Thermoelectric Applications |
ACS APPLIED MATERIALS & INTERFACES
|
| 2017-09 |
Ab initio Surface Phase Diagram of Sn/Cu(001): Reconciling Experiments with Theory |
PHYSICAL REVIEW APPLIED
|
| 2017-08 |
Assembling phosphorene flexagons for 2D electron-density-guided nanopatterning and nanofabrication |
NANOSCALE
|
| 2017-07 |
One-Step Solution Phase Growth of Transition Metal Dichalcogenide Thin Films Directly on Solid Substrates |
ADVANCED MATERIALS
|
| 2017-06 |
Uncovering the Thermo-Kinetic Origins of Phase Ordering in Mixed-Valence Antimony Tetroxide by First-Principles Modeling |
INORGANIC CHEMISTRY
|
| 2017-05 |
Direct observation of grain boundaries in chemical vapor deposited graphene |
CARBON
|
| 2017-04 |
Influence of Rb/Cs Cation-Exchange on Inorganic Sn Halide Perovskites: From Chemical Structure to Physical Properties |
CHEMISTRY OF MATERIALS
|
| 2017-04 |
Eventual Chemical Transformation of Metals and Chalcogens into Metal Chalcogenide Nanoplates through a Surface Nucleation-Detachment-Reorganization Mechanism |
CHEMISTRY OF MATERIALS
|
| 2017-02 |
Aligning the Band Structures of Polymorphic Molybdenum Oxides and Organic Emitters in Light-Emitting Diodes |
PHYSICAL REVIEW APPLIED
|
| 2017-02 |
Ab initio Thermodynamics of Surface Oxide Structures under Controlled Growth Conditions |
JOURNAL OF PHYSICAL CHEMISTRY C
|
| 2017-02 |
Support Effects in Single-Atom Platinum Catalysts for Electrochemical Oxygen Reduction |
ACS CATALYSIS
|
| 2017-01 |
Chemically Driven Enhancement of Oxygen Reduction Electrocatalysis in Supported Perovskite Oxides |
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
|
| 2016-08 |
Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions |
PHYSICAL REVIEW LETTERS
|
| 2016-07 |
Organics on oxidic metal surfaces: a first-principles DFT study of PMDA and ODA fragments on the pristine and mildly oxidized surfaces of Cu(111) |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2016-07 |
Acute mechano-electronic responses in twisted phosphorene nanoribbons |
NANOSCALE
|
| 2016-07 |
Assessing the influence of van der Waals corrected exchange-correlation functionals on the anisotropic mechanical properties of coinage metals |
PHYSICAL REVIEW B
|
| 2016-06 |
Understanding the advantage of hexagonal WO3 as an efficient photoanode for solar water splitting: a first-principles perspective |
JOURNAL OF MATERIALS CHEMISTRY A
|
| 2016-06 |
Unraveling the Intercalation Chemistry of Hexagonal Tungsten Bronze and Its Optical Responses |
CHEMISTRY OF MATERIALS
|
| 2016-03 |
In search of non-conventional surface oxidic motifs of Cu on Au(111) |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2016-02 |
Single-Atom Catalyst of Platinum Supported on Titanium Nitride for Selective Electrochemical Reactions. |
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
|
| 2016-01 |
Exploring stereographic surface energy maps of cubic metals via an effective pair-potential approach |
PHYSICAL REVIEW B
|
| 2016-01 |
Unraveling the origins of conduction band valley degeneracies in Mg2Si1-xSnx thermoelectrics |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2015-12 |
Remarkably stable amorphous metal oxide grown on Zr-Cu-Be metallic glass |
SCIENTIFIC REPORTS
|
| 2015-12 |
Remarkably low-energy one-dimensional fault line defects in single-layered phosphorene |
NANOSCALE
|
| 2015-11 |
Solid-state chemistry of glassy antimony oxides |
JOURNAL OF MATERIALS CHEMISTRY C
|
| 2015-10 |
Synthesis of surfactant-free SnS nanoplates in an aqueous solution |
RSC ADVANCES
|
| 2015-09 |
Electronic structure modification of platinum on titanium nitride resulting in enhanced catalytic activity and durability for oxygen reduction and formic acid oxidation |
APPLIED CATALYSIS B-ENVIRONMENTAL
|
| 2015-08 |
The effect of Se doping on the growth of Te nanorods |
CRYSTENGCOMM
|
| 2015-04 |
A rational computational study of surface defect-mediated stabilization of low-dimensional Pt nanostructures on TiN(100) |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2015-02 |
Lattice-mismatched heteroepitaxy of IV-VI thin films on PbTe(001): An ab initio study |
PHYSICAL REVIEW B
|
| 2015-01 |
Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M=3d transition metals) alloy catalyst from first-principles |
JOURNAL OF CHEMICAL PHYSICS
|
| 2015-01 |
Shape effects of cuprous oxide particles on stability in water and photocatalytic water splitting |
JOURNAL OF MATERIALS CHEMISTRY A
|
| 2014-10 |
Re-visiting the O/Cu(111) system - when metastable surface oxides could become an issue! |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2014-10 |
Nonstoichiometric Nucleation and Growth of Multicomponent Nanocrystals in Solution |
ACCOUNTS OF CHEMICAL RESEARCH
|
| 2014-09 |
Why does bromine square palladium off? An ab initio study of brominated palladium and its nanomorphology |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
|
| 2014-08 |
Stacking-dependent energetics and electronic structure of ultrathin polymorphic V2VI3 topological insulator nanofilms |
PHYSICAL REVIEW B
|
| 2014-08 |
Identification of critical stacking faults in thin-film CdTe solar cells |
APPLIED PHYSICS LETTERS
|
| 2014-08 |
Solution-based synthesis of anisotropic metal chalcogenide nanocrystals and their applications |
JOURNAL OF MATERIALS CHEMISTRY C
|
| 2014-02 |
Electronic structure and band alignment of zinc nitride, Zn3N2 |
RSC ADVANCES
|