D. Yuan

发表

Application of the Peierls–Nabarro Model to Symmetric Tilt Low-Angle Grain Boundary with Full Dislocation in Pure Magnesium

Jianghua Chen, C. L. Wu, T. Fan, 2016, Acta Metallurgica Sinica (English Letters).

MnO2-decorated hierarchical porous carbon composites for high-performance asymmetric supercapacitors

K. Guo, Chao Yang, Yi Xie, 2019, Journal of Power Sources.

Peculiar distribution of Pd on Au nanoclusters: First-principles studies

X. Gong, R. Wu, D. Yuan, 2008 .

The possibilities to lower the stacking fault energies of aluminum materials investigated by first-principles energy calculations

Jianghua Chen, T. Fan, Linghong Liu, 2015 .

Double-atomic-wall-based dynamic precipitates of the early-stage S-phase in AlCuMg alloys

C. Liu, Jianghua Chen, J. Liu, 2012 .

The Electronic Structure and Formation Energies of Ni-doped CuAlO2 by Density Functional Theory Calculation

Guozheng Nie, D. Yuan, Wei Sheng, 2014 .

First-principles study of nitrogen-doped CuAlO2

D. Yuan, Z. Ao, Ying Xu, 2012 .

Fiber-Shaped Fluidic Nanogenerator with High Power Density for Self-Powered Integrated Electronics

Tongchao Liu, Jun Lu, Chao Yang, 2020 .

First-principles prediction of enhanced magnetic anisotropy in FeCo alloys

J. Liu, R. Wu, Qiming Zhang, 2008 .

Pt-based intermetallic compounds with tunable activity and selectivity toward hydrogen production from formic acid

Wangyu Hu, D. Yuan, Bowen Huang, 2022, Applied Surface Science.

Effects of solute concentration on the stacking fault energy in copper alloys at finite temperatures

J. H. Chen, T. Fan, Linghong Liu, 2017 .

Effect of crystallographic orientations on shock-induced plasticity for CoCrFeMnNi high-entropy alloy

H. Deng, Wangyu Hu, Kun Wang, 2022, International Journal of Mechanical Sciences.

The stability of deformation twins in aluminum enhanced by alloying elements

S. Shang, Jianghua Chen, Linghong Liu, 2019, Journal of Materials Science & Technology.

Unsaturated coordination polymer frameworks as multifunctional sulfur reservoir for fast and durable lithium-sulfur batteries

Zhongwei Chen, Li Wang, Yongfeng Hu, 2021 .

Magnetic and hyperfine properties of Fe8 molecule

D. Yuan, Z. Zeng, 2006 .

Fine precipitation scenarios of AlZnMg(Cu) alloys revealed by advanced atomic-resolution electron microscopy study Part I: Structure determination of the precipitates in AlZnMg(Cu) alloys

Jing Zhu, Jizi Liu, Jianghua Chen, 2015 .

Geometric, electronic, and bonding properties of AuNM (N = 1-7, M = Ni, Pd, Pt) clusters.

Yang Wang, D. Yuan, Z. Zeng, 2005, The Journal of chemical physics.

Elastic Properties and Stacking Fault Energies of Borides, Carbides and Nitrides from First-Principles Calculations

Zaoli Zhang, Jianghua Chen, D. Yuan, 2019, Acta Metallurgica Sinica (English Letters).

Strain effects on the electronic structure of ZnSnP2 via modified Becke–Johnson exchange potential

Guozheng Nie, D. Yuan, Z. Ao, 2015 .

Synergistic Effects of Crystal Phase and Strain for N2 Dissociation on Ru(0001) Surfaces with Multilayered Hexagonal Close-Packed Structures

Wangyu Hu, Jing Zhou, D. Yuan, 2022, ACS omega.

Effects of van der Waals Dispersion Interactions in Density Functional Studies of Adsorption, Catalysis, and Tribology on Metals

R. Wu, Yanning Zhang, W. Ho, 2020 .

Synergistic Effect of Alloying Atoms on Intrinsic Stacking-Fault Energy in Austenitic Steels

T. Fan, Linghong Liu, D. Yuan, 2017, Acta Metallurgica Sinica (English Letters).

The structure and the properties of S-phase in AlCuMg alloys

D. Yuan, S. B. Wang, M. Yin, 2011 .

Unraveling Reaction Mechanisms of Mo2C as Cathode Catalyst in Li-CO2 Battery.

Jianli Cheng, K. Guo, Chao Yang, 2020, Journal of the American Chemical Society.

Metallic State SnS2 Nanosheets with Expanded Lattice Spacing for High Performance Sodium-ion Battery.

Huakun Liu, Wen‐Bin Luo, Qun-li Tang, 2019, ChemSusChem.

Highly effective Ru-based Heusler alloy catalysts for N2 activation: A theoretical study

Wangyu Hu, Jing Zhou, D. Yuan, 2021, Applied Surface Science.

Understanding the effect of I/N dual-doped hard carbon for high performance K-ion storage

Wen‐Bin Luo, Yan Zhang, Xiaohua Chen, 2021 .

The precipitation competition of η-series precipitates and δ' precipitates in Li-containing Al-Zn-Mg-Cu alloys

Linghong Liu, D. Yuan, T. Fan, 2021 .

Alloying Effects on the Phase Stability and Mechanical Properties of Doped Cu-Sn IMCs: A First-Principle Study

G. Zeng, T. Fan, Linghong Liu, 2016, Journal of Electronic Materials.

Quantitative Understanding of van der Waals Interactions by Analyzing the Adsorption Structure and Low-Frequency Vibrational Modes of Single Benzene Molecules on Silver.

R. Wu, W. Ho, Zhumin Han, 2016, The journal of physical chemistry letters.

Phase transition in yttrium under shock compression by atomistic simulations

H. Deng, Wangyu Hu, Yangchun Chen, 2023, International Journal of Mechanical Sciences.

Ensemble effects on ethylene dehydrogenation on PdAu(001) surfaces investigated with first-principles calculations and nudged-elastic-band simulations

X. Gong, R. Wu, D. Yuan, 2007 .

A Quasi‐Solid‐State Flexible Fiber‐Shaped Li–CO2 Battery with Low Overpotential and High Energy Efficiency

Jun Lu, Jianli Cheng, K. Guo, 2018, Advanced materials.

Atomic ensemble effects on formic acid oxidation on PdAu electrode studied by first-principles calculations

D. Yuan, Ziran Liu, 2013 .

Catalytic activity of Pd ensembles over Au(111) surface for CO oxidation: a first-principles study.

Z. Liu, D. Yuan, J. H. Chen, 2011, The Journal of chemical physics.

Atomic configurations of Pd atoms in PdAu(111) bimetallic surfaces investigated using the first-principles pseudopotential plane wave approach

X. Gong, R. Wu, D. Yuan, 2007 .

Selective Dehydrogenation of HCOOH on Zn-Decorated Pd(111) Surface Studied by First-Principles Calculations

Linghong Liu, D. Yuan, Jiayuan Li, 2016, Catalysis Letters.

Oxygen vacancy–rich Cu2O@Cu with a hydrophobic microenvironment for highly selective C-C coupling to generate C2H4

Chengbin Liu, Yanhong Tang, Yi Du, 2022, Chemical Engineering Journal.

Structures and catalytic properties of Pd m Au n (m+n=7) bimetallic clusters supported on graphene by first-principles studies

Cong Liu, D. Yuan, Ziran Liu, 2014 .

Single-Atom Cu Channel and N-Vacancy Engineering Enables Efficient Charge Separation and Transfer between C3N4 Interlayers for Boosting Photocatalytic Hydrogen Production

Yanhong Tang, Haifang Tang, Yuqing Chen, 2023, ACS Catalysis.

Saturated adsorption of CO and coadsorption of CO and O2 on AuN- (N=2-7) clusters.

D. Yuan, Z. Zeng, 2004, The Journal of chemical physics.

Theoretical investigations of HCOOH decomposition on ordered Cu-Pd alloy surfaces

D. Yuan, Yong Zhang, 2018, Applied Surface Science.

Enhanced Catalytic Activity of Bimetallic Ordered Catalysts for Nitrogen Reduction Reaction by Perturbation of Scaling Relations

Wangyu Hu, D. Yuan, Bowen Huang, 2023, ACS Catalysis.

Rotational Spectromicroscopy: Imaging the Orbital Interaction between Molecular Hydrogen and an Adsorbed Molecule.

R. Wu, W. Ho, Gregory Czap, 2015, Physical review letters.

Decomposition pathways of methanol on the PtAu(111) bimetallic surface: a first-principles study.

X. Gong, R. Wu, D. Yuan, 2008, The Journal of chemical physics.

Development of a machine-learning interatomic potential for uranium under the moment tensor potential framework

Wangyu Hu, D. Yuan, Bowen Huang, 2023, Computational materials science.

Confinement-Induced Catalytic Dissociation of Hydrogen Molecules in a Scanning Tunneling Microscope.

R. Wu, W. Ho, Gregory Czap, 2022, Journal of the American Chemical Society.

First-principles investigations of O2 dissociation on low-coordinated Pd ensembles over stepped Au surfaces

D. Yuan, Ying Xu, Ziran Liu, 2012 .

Selective hydrogenation of acetylene on Cu-Pd intermetallic compounds and Pd atoms substituted Cu(111) surfaces.

Wangyu Hu, L. Cai, D. Yuan, 2021, Physical chemistry chemical physics : PCCP.