D. Tian

发表

Structure and structural evolution of Agn (n = 3-22) clusters using a genetic algorithm and density functional theory method

Jijun Zhao, D. Tian, Hualei Zhang, 2007 .

Carbon nanotube arrays hybrid membrane with excellent separation performance and conductivity

Zongbin Zhao, Yang Liu, D. Tian, 2020, Journal of Membrane Science.

Dynamic motion of La atom inside the C74 (D3h) cage: a relativistic DFT study

C. Hao, Suzhen Ren, D. Tian, 2013, Journal of Molecular Modeling.

Cobalt nitride nanoparticles embedded in porous carbon nanosheet arrays propelling polysulfides conversion for highly stable lithium–sulfur batteries

J. Qiu, Zongbin Zhao, Xuzhen Wang, 2019, Energy Storage Materials.

The dynamic motion of a M (M = Ca, Yb) atom inside the C74 (D3h) cage: a relativistic DFT study

C. Hao, Suzhen Ren, D. Tian, 2013, Journal of Molecular Modeling.

Morphology-controlled synthesis of SnO2/C hollow core–shell nanoparticle aggregates with improved lithium storage

Weiqi Wang, Shixiong Wang, Xiangjun Yang, 2013 .

Synthesis, crystal structure, absorption properties, photoelectric behavior of organic-inorganic hybrid (CH3 NH3 )2 CoCl4

Jie Yin, Huawei Zhou, D. Tian, 2019, Applied Organometallic Chemistry.

Low-temperature synthesis of PdO-CeO2/C toward efficient oxygen reduction reaction

Yujiang Song, Xueliang Wang, D. Tian, 2020 .

Hydrogen adsorption and dissociation on Pd19 cluster using density functional calculations

D. Tian, Yun Zhao, 2012 .

Urea-Functionalized Imidazolium-Based Ionic Polymer for Chemical Conversion of CO2 into Organic Carbonates

Ruihu Wang, D. Tian, Hong Zhong, 2019, ACS Sustainable Chemistry & Engineering.

Computational design of ternary NiO/MPt interface active sites for H2O dissociation

Jijun Zhao, H. Du, D. Tian, 2022, International Journal of Hydrogen Energy.

Core–shell TiO2 microsphere with enhanced photocatalytic activity and improved lithium storage

Xiangjun Yang, Hong Guo, Lixiang Liu, 2013 .

DFT study on the adsorption and dissociation of H2 on Pdn (n = 4, 6, 13, 19, 55) clusters

C. Meng, D. Tian, Xue-Ru Liu, 2015 .

DFT study on stability and H2 adsorption activity of bimetallic Au79−nPdn (n = 1–55) clusters

C. Meng, D. Tian, Xue-Ru Liu, 2013 .

DFT study on stability and structure of bimetallic AumPdn (N = 38, 55, 79, N = m + n, m/n ≈ 2:1 and 5:1) clusters

C. Meng, D. Tian, Xue-Ru Liu, 2012 .

Enhanced dyes removal properties of hollow SnO2 Microspheres and SnO2@C composites

C. Hao, Suzhen Ren, Ying Yang, 2015 .

Theoretical design and preparation research of molecularly imprinted polymers for steviol glycosides

Jingbo Zhu, D. Tian, Wei Xiao, 2021, Journal of Molecular Modeling.

New Penta- and Hexa-Coordinated Titanium Sites in Titanium Silicalite-1 Catalyst for Propylene Epoxidation

Xinwen Guo, Y. Zuo, D. Tian, 2023, SSRN Electronic Journal.

DFT studies on the palladium-catalyzed dearomatization reaction between naphthalene allyl chloride and allyltributylstannane

Dongxue Han, D. Tian, W. Cao, 2015, Journal of Molecular Modeling.

C(3i)-symmetric octanuclear cadmium cages: double-anion-templated synthesis, formation mechanism, and properties.

Di Sun, Daofeng Sun, Liangliang Zhang, 2012, Chemistry.

Highly Dispersed Ultrafine Palladium Nanoparticles Enabled by Functionalized Porous Organic Polymer for Additive‐Free Dehydrogenation of Formic Acid

Ruihu Wang, D. Tian, Yujiao Tang, 2018 .

The maximum number of carbonyl groups around an Ru6C polyhedral cluster: hexanuclear ruthenium carbonyl carbides.

Jijun Zhao, R. King, Jingcheng Xu, 2010, Dalton transactions.

Competition among fcc-like, double-layered flat, tubular cage, and close-packed structural motifs for medium-sized Au n (n = 21-28) clusters.

Jijun Zhao, D. Tian, 2008, The journal of physical chemistry. A.

Structural evolution of Aun (n = 29–35) clusters: A transition from hollow cage to amorphous packing

Jijun Zhao, D. Tian, Jian Li, 2011 .

Structural evolution of medium-sized Pd(n) (n=15-25) clusters from density functional theory.

Jijun Zhao, D. Tian, Hualei Zhang, 2008, The Journal of chemical physics.

Competition among fcc-like, double-layered flat, tubular cage, and close-packed structural motifs for medium-sized Au n (n = 21-28) clusters.

Jijun Zhao, D. Tian, 2008, The journal of physical chemistry. A.

Hydrogen storage behavior in C15 Laves phase compound TiCr2 by first principles

Jijun Zhao, B. Johansson, Fen Li, 2009 .

TDDFT study on intermolecular hydrogen bond of photoexcited hydroxy coumarin/methyl imidazole

D. Tian, P. Qu, Liang-jin Xu, 2014 .

TDDFT study on intramolecular hydrogen bond of photoexcited methyl salicylate.

D. Tian, P. Qu, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structure Sensitivity of NO Adsorption–Dissociation on Pdn (n = 8, 13, 19, 25) Clusters

C. Meng, Suzhen Ren, D. Tian, 2015 .

3D flower-like polypyrrole-derived N-doped porous carbon coupled cobalt oxide as efficient oxygen evolution electrocatalyst

C. Hao, Weiwei Qiu, Jialin Zhao, 2020 .

Strengthening of hydrogen bonded coumarin 102 in ethanol solvent upon photoexcitation

D. Tian, Jinqiu Su, 2014 .

Framework stability and Brønsted acidity of isomorphously substituted interlayer-expanded zeolite COE-4: a density functional theory study.

Bilge Yilmaz, H. Gies, T. Tatsumi, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

Covalent organic frameworks with lithiophilic and sulfiphilic dual linkages for cooperative affinity to polysulfides in lithium-sulfur batteries

Liuyi Li, Hui Pan, Zhubing Xiao, 2018 .

Structures and structural evolution of Ptn (n = 15―24) clusters with combined density functional and genetic algorithm methods

D. Tian, Xianglei Wang, 2009 .

Roles of graphitic N and Fe-Nx sites on persulfate non-radical activation for 2,4-dichlorophenol degradation by porous magnetic Fe–N–C catalyst

D. Tian, Zhanggeng Huang, Fei Qi, 2023, Fuel Processing Technology.

Insights into the Reactive and Deactivation Mechanisms of Manganese Oxides for Ozone Elimination: The Roles of Surface Oxygen Species.

Shudong Wang, Sheng Wang, D. Tian, 2021, Langmuir : the ACS journal of surfaces and colloids.

2D SnO2 nanorod networks templated by garlic skins for lithium ion batteries

Shixiong Wang, Xiangjun Yang, Hong Guo, 2013 .

Defect-rich ZnS nanoparticles supported on reduced graphene oxide for high-efficiency ambient N2-to-NH3 conversion

Dan Wu, Q. Wei, Xiang Ren, 2021 .

Structural evolution of Agnv(v=±1,0;n=3–14) clusters using genetic algorithm and density functional theory method

Dongxu Tian, D. Tian, Hualei Zhang, 2008 .

Tuned Fabrication of the Aligned and Opened CNT Membrane with Exceptionally High Permeability and Selectivity for Bioalcohol Recovery.

Hong Li, Zongbin Zhao, Yang Liu, 2018, Nano letters.

Structural stability and Lewis acidity of tetravalent Ti, Sn, or Zr-linked interlayer-expanded zeolite COE-4: A DFT study

H. Gies, X. Bao, Juan Wang, 2015 .

Chromium doping: A new approach to regulate electronic structure of cobalt carbonate hydroxide for oxygen evolution improvement.

Dan Wu, Xiang Ren, Bing Du, 2021, Journal of colloid and interface science.

Synthesis, Crystal Structure, UV–Vis Adsorption Properties, Photoelectric Behavior, and DFT Computational Study of All-Inorganic and Lead-Free Copper Halide Salt K2Cu2Cl6

Jinsheng Zhao, Jie Yin, Xianxi Zhang, 2018, ACS omega.

Dual relationship between large gold clusters (antifullerenes) and carbon fullerenes: a new lowest-energy cage structure for Au50.

Jijun Zhao, R. King, Bao-lin Wang, 2007, The journal of physical chemistry. A.

Experimental and Modeling Study on C_2H_2 Oxidation and Aromatics Formation at 1.2 MPa

Jiuzhong Yang, L. Du, D. Tian, 2023, Journal of Thermal Science.

Uniform PdH0.33 nanodendrites with a high oxygen reduction activity tuned by lattice H

Jie Zhu, Y. Lv, Huiyuan Liu, 2019, Electrochemistry Communications.

DFT studies on the reaction mechanism for the selective oxidative dehydrogenation of light alkanes by BN catalysts

Zhi-Jian Zhao, D. Tian, A. Li, 2020 .

A relativistic DFT study on the structure and property of M(M = Ba, Sr) @ C74 (D3h)

C. Hao, Suzhen Ren, D. Tian, 2013 .