程道建教授 博士生导师

办公地址
北京市朝阳区北三环东路15号北京化工大学科技大厦1307室

电子邮箱
chengdj@mail.buct.edu.cn; chengdaojian@gmail.com
联系电话
-605
学术兼职
英国皇家化学会会士（Fellow of the Royal Society of Chemistry, FRSC）；兼任Molecular Simulation和Frontiers in Computational Materials Science期刊编委；兼任《ACS Catalysis》, 《Nanoscale》, 《Nano Research》, 《Phys. Chem. Chem. Phys.》, 《J. Phys. Chem. C》,《Int. J. Hydrogen Energy》, 《Catalysis Today》,《Mol. Sim.》, 《Comput. Mater. Sci.》等国际期刊的审稿人。



招生专业及研究方向
招生专业：
化学工程与技术
研究方向：
面向石油化工和能源化工应用的金属纳米催化剂的设计和制备

个人经历
教育背景
2004.9-2008.6 北京化工大学 化学工程专业硕博连读
工学博士学位（导师：汪文川教授）
2000.9-2004.6 北京化工大学 计算机科学与技术专业 工学学士学位（保送研究生）
学术经历
2015.01 – 现在 北京化工大学 教授 博士生导师
2010.12 – 2014.12. 北京化工大学 副教授 硕士生导师
2008.10 – 2010.10. 比利时 布鲁塞尔自由大学（ULB），科学系 博士后（Research scientist）
2010.03 – 2010.04. 意大利 国家研究委员会（CNR）比萨化学物理研究所 欧盟奖金资助研究


科研项目
1 气固反应中金属合金纳米催化剂介尺度结构的形成机制及调控 67万元 2017/01-2019/12 负责 国家自然科学基金重大研究计划培育项目（**） 正在进行
2 铂基金属合金纳米粒子催化剂协同催化CO氧化的机理研究 65万元 2016/01-2019/12 负责 国家自然科学基金面上项目，(**) 正在进行
3 氢燃料电池用新型高效铂基金属合金催化材料的研究开发 18万元 2016/10-2018/09 负责 中国石油科技创新基金研究项目，（2016D-5007-0505） 正在进行
4 烷基化原料选择加氢除丁二烯催化剂理论设计研究 15万元 2018/01-2019/12 负责 中国石油天然气股份有限公司兰州化工研究中心合作技术开发合同 正在进行
5 3D打印催化剂载体结构的计算表征及其构效关系研究 35万元 2018/01-2019/12 负责 中国石油天然气股份有限公司兰州化工研究中心合作技术开发合同 正在进行
6 OLED用高效高稳定三苯胺衍生物材料的研究开发 30万元 2015/07-2017/06 负责 江苏省产学研前瞻性联合研究项目 已完成
7 多相反应过程中的表界面结构和相际传递现象研究 120万元 2014/01-2017/12 参加 国家自然科学基金重大研究计划重点支持项目 已完成
8 硅烷化学气相沉积制备多晶硅反应系统中表界面介尺度结构的形成机制和反应特性研究 20万元 2014/12-2016/12 负责 中国科学院过程研究所多相复杂系统国家重点实验室开放课题 已完成
9 自热式催化燃烧反应器 45万元 2014/10-2016/10 负责 中国石油天然气股份有限公司吉林石化分公司技术开发课题 已完成
10 一氧化碳和氧的表面吸附致金属纳米簇催化剂微结构变化的机理研究 18万元 2015/01-2016/12 负责 国家自然科学基金青年基金 已完成
11 双金属纳米簇基燃料电池催化剂的多尺度计算设计及实验制备 28万元 2012/12-2015/12 负责 北京市科技新星计划 已完成
12 用于富氢气中CO优先氧化的铂基双金属纳米簇催化剂的理论与实验研究 15万元 2013/11-2015/12 负责 北京市青年英才计划（BJYC01） 已完成
13 共价有机聚合物和铜纳米线有机无机复合材料的设计合成及电催化性能研究 18万元 2015/01-2016/12 负责 北京化工大学学科建设项目 已完成
14 共价有机聚合物和铜纳米线有机无机复合材料的设计合成及电催化性能研究 10万元 2014/01-2015/12 负责 北京化工大学有机无机复合材料国家重点实验室开放课题 已完成
15 铜基双金属纳米簇催化CO2加氢制甲醇反应机理的DFT研究及催化剂的计算设计 5万元 2016/01-2016/12 负责 北京化工大学国际化能力提升项目 已完成
16 江苏省第五期“333工程”第三层次培养对象研究项目 4万元 2017/01-2018/12 负责 江苏省第五期“333工程”第三层次培养对象研究项目 正在进行


学术成就
共发表SCI论文110篇，其中第一或通讯作者论文98篇。
1) Daojian Cheng, Wenchuan Wang, and Shiping Huang. The Onion-Ring Structure for Pd-Pt Bimetallic Clusters. Journal of Physical Chemistry B 110, 16193-16196(2006)
2) Daojian Cheng, Shiping Huang, and Wenchuan Wang. Thermal behavior of core-shell and three-shell layered clusters: Melting of Cu1Au54 and Cu12Au43. Physical Review B 74, 064117(2006)
3) Daojian Cheng, Shiping Huang, and Wenchuan Wang. Structures of small Pd-Pt bimetallic clusters by Monte Carlo Simulation. Chemical Physics, 330, 423-430(2006)
4) Daojian Cheng, Shiping Huang, and Wenchuan Wang. The structure of 55-atom Cu–Au bimetallic clusters: Monte Carlo study. European Physical Journal D 39, 41-48 (2006)
5) Daojian Cheng, Wenchuan Wang, and Shiping Huang. Thermal Evolution of Pd and Pd-Pt Clusters Supported On MgO(100). Journal of Physical Chemistry C 111, 8037-8042(2007)
6) Daojian Cheng, Wenchuan Wang, and Shiping Huang. Thermal Evolution of a Platinum Cluster Encapsulated in Carbon Nanotubes. Journal of Physical Chemistry C 111, 1631-1637(2007)
7) Daojian Cheng, Xin Liu, Dapeng Cao, Wenchuan Wang and Shiping Huang. Surface segregation of Ag-Cu-Au trimetallic clusters. Nanotechnology 18, 475702(2007)
8) Daojian Cheng, Wenchuan Wang, and Shiping Huang. Core-shell structured bimetallic clusters and nanowires. Journal of Physics: Condensed Matter 19, 356217(2007)
9) Yang Pan, Daojian Cheng, Shiping Huang, and Wenchuan Wang, Melting behavior of core-shell structured Ag-Rh bimetallic clusters.Chinese Physics Letters 111, 8037-8042(2007)
10) Daojian Cheng, Wenchuan Wang, Shiping Huang, and Dapeng Cao. Atomistic Modeling of Multishell Onion-Ring Bimetallic Nanowires and Clusters. Journal of Physical Chemistry C112, 4855-4860(2008)
11) Jianhui Lan, Daojian Cheng, Dapeng Cao and Wenchuan Wang, Silicon nanotube as a promising candidate for hydrogen storage: From the first principle calculations to GCMC simulations.Journal of Physical Chemistry C 112, 5598-5604(2008)
12) Daojian Cheng, Wenchuan Wang, and Shiping Huang. Melting phenomena: effect of composition for 55-atom Ag-Pd bimetallic clusters, Physical Chemistry Chemical Physics 10, 2813-2818(2008)
13) Daojian Cheng and Dapeng Cao. Structural Transition and Melting of Onion-Ring Pd-Pt Bimetallic Clusters. Chemical Physics Letters, 2008, 461, 71.
14) Daojian Cheng and Dapeng Cao. Ternary alloying effect on the melting of metal clusters.European Physical Journal B, 2008, 66, 17
15) Daojian Cheng, Wenchuan Wang, Dapeng Cao, and Shiping Huang Simulating Synthesis of Metal Nanorods, Nanoplates and Nanoframes by Self-Assembly of Nanoparticle Building Blocks.Journal of Physical Chemistry C 113, 3986-3997(2009)
16) Daojian Cheng, Jianhui Lan, Wenchuan Wang, Dapeng Cao Theoretical study of the structures of MgO(100)-supported Au clusters. Surface Science 603,880–885(2009)
17) Xin Liu, Daojian Cheng, and Dapeng Cao. The structure, energetics and thermal evolution of SiGe nanotubes. Nanotechnology 20, 315705(2009)
18) Daojian Cheng and Marc Hou. Structures, thermal stability, and melting behaviors of free-standing pentagonal multi-shell Pd-Pt nanowires. European Physical Journal B 74, 379–390(2010)
19) Daojian Cheng and Jianhui Lan. Thermal behavior of Pd clusters inside carbon nanotubes: Insights into the cluster-size, tube-size, and metal-tube interaction effects Molecular Simulation 36, 805–814(2010)
20) B. Zhu, Y.X. Wang, Z.Y. Pan, Daojian Cheng, Marc Hou. Nanowire formation by coalescence of small gold clusters inside carbon nanotubes. European Physical Journal D 57, 219 – 226(2010)
21) Daojian Cheng, Marc Hou, M. Moors, T. Visard de Beaucarmé, N. Kruse. Triggering Surface Nickel Diffusion by Adsorption of Carbon. Chemical Physics Letters 492, 63-67(2010)
22) B.E. Zhu, Z.Y. Pan, M. Hou, Daojian Cheng, and Y.X. Wang, Melting behaviour of gold nanowires in carbon nanotubes, Molecular Physics 109, 527–533(2011)
23) Daojian Cheng, I.V. Atanasov, and M. Hou, Influence of the environment on equilibrium properties of Au-Pd clusters, European Physical Journal D 64, 37–44 (2011)
24) Mang Niu, Wenjie Xu, Xiaohong Shao*, and Daojian Cheng*, Enhanced photoelectrochemical performance of rutile TiO2 by Sb-N donor-acceptor coincorporation from first principles calculations ,Appl. Phys. Lett. 2011, 99, 203111
25) Daojian Cheng, Giovanni Barcaro, Jean-Christophe Charlier, Marc Hou, and Alessandro Fortunelli, Homogeneous Nucleation of Graphitic Nanostructures from Carbon Chains on Ni(111),Journal of Physical Chemistry C 115, 10537–10543(2011)
26) Daojian Cheng, J. Lan, Dapeng Cao, W. Wang, Adsorption and dissociation of ammonia on clean and metal-doped TiO2 rutile (110) surfaces: A comparative DFT study, Applied Catalysis B-Environmental 106, 510-519(2011)
27) Daojian Cheng*, W. Wang, Tailoring of Pd–Pt bimetallic clusters with high stability for oxygen reduction reaction, Nanoscale 4, 2408-2415 (2012)
28) B Zhu, Y Wang, I S Atanasov, Daojian Cheng, and M Hou, Ordering and segregation in isolated Au–Pd icosahedral nanoclusters and nanowires and the consequences of their encapsulation inside carbon nanotubes, J. Phys. D: Appl. Phys. 45, 165302(2012)
29) Wenjie Xu, Daojian Cheng*, Mang Niu, Xiaohong Shao*, and Wenchuan Wang, Modification of the adsorption properties of O and OH on Pt–Ni bimetallic surfaces by subsurface alloying,Electrochimica Acta 76, 440-445(2012)
30) Mang Niu, Daojian Cheng*, Lingjun Huo, and Xiaohong Shao*, First principles study on the p-type transparent conducting properties of rutile Ti1-xInxO2, Journal of Alloys and Compounds539, 221-225(2012)
31) H. Ling, Z. H. Xiang, Daojian Cheng, J. H. Lan, W. C. Wang, T. Ben, D. P. Cao.,Semiconducting and conducting transition of one-dimensional covalent-organic polymers induced by tailoring the odd-even Defects, Nanotechnology 23, 395702(2012)
32) Mang Niu, Daojian Cheng*, and Dapeng Cao*, Enhanced photoelectrochemical performance of anatase TiO2 by metal-assisted Se-O coupling for water splitting, International Journal of Hydrogen Energy 38, 1251(2013)
33) Yu Fang, Daojian Cheng*, Mang Niu, Yongjun Yi, Wei Wu*, Tailoring the electronic and optical properties of rutile TiO2 by (Nb + Sb, C) codoping from DFT + U calculations, Chemical Physics Letters, 567, 34–38(2013)
34) Daojian Cheng*, Fabio R. Negreiros, Edoardo Aprà and Alessandro Fortunelli*, Computational approaches to the chemical conversion of carbon dioxide, ChemSusChem, 6, 944-965(2013)
35) Daojian Cheng* and Kun Jiang, Structural stability and kinetics of small carbon clusters on a bimetallic Cu/Ni(111) surface: A first-principles study, Surface Science 609, 85–90(2013)
36) Mang Niu, Daojian Cheng*, and Dapeng Cao*, Understanding Photoelectrochemical Properties of B-N Codoped Anatase TiO2 for Solar Energy Conversion, Journal of Physical Chemistry C 117, 15911-15917(2013)
37) Daojian Cheng*, Shuai Yuan and Riccardo Ferrando*, Structure, chemical ordering and thermal stability of Pt–Ni alloy nanoclusters, Journal of Physics: Condensed Matter 25, 355008(2013)
38) Mingjiang Li and Daojian Cheng*, Molecular Dynamics Simulation of the Melting Behavior of Crown-Jewel Structured Au-Pd Nanoalloys, Journal of Physical Chemistry C 117, 18746-18751(2013)
39) Mingjiang Li, Shaojie Li, Daojian Cheng*, Influence of adsorbates on the segregation properties of Au-Pd bimetallic clusters, Computational Materials Science 81, 253-258(2014). 3
40) Yang Yang and Daojian Cheng*, Role of Composition and Geometric Relaxation in CO2 Binding to Cu-Ni Bimetallic Clusters, Journal of Physical Chemistry C 118, 250-258(2014). 6
41) Yu Fang, Daojian Cheng*, Wei Wu*, Understanding electronic and optical properties of N-Sn codoped anatase TiO2, Computational Materials Science 85, 264-268(2014). 1
42) Daojian Cheng, Minming Zhang, Jianfeng Chen,* Chenxi Yang, Xiaofei Zeng,* and Dapeng Cao, Computer Screening of Dopants for the Development of New SnO2-Based Transparent Conducting Oxides, Journal of Physical Chemistry C 118, 2037-2043(2014). 7
43) Mang Niu, Daojian Cheng,* and Dapeng Cao,* Understanding the Mechanism of Photocatalysis Enhancements in the Graphene-like Semiconductor Sheet/TiO2 Composites, Journal of Physical Chemistry C 118, 5954-5960(2014). 20
44) Daojian Cheng,* Haoxiang Xu, Alessandro Fortunelli,* Tuning the catalytic activity of Au-Pd nanoalloys in CO oxidation via composition, Journal of Catalysis 314, 47-55(2014). 12
45) Mang Niu, Daojian Cheng,* and Dapeng Cao,* SiH/TiO2 and GeH/TiO2 Heterojunctions: Promising TiO2-based Photocatalysts under Visible Light, Scientific Reports 4, 4810(2014). 13
46) Bin Chen, Daojian Cheng,* Jiqin Zhu,* Synthesis of PtCu nanowires in nonaqueous solvent with enhanced activity and stability for oxygen reduction reaction, Journal of Power Sources267, 380–387(2014). 11
47) Le Chang, Haoxiang Xu, Daojian Cheng*, Role of ligand type on the geometric and electronic properties of Ag–Au bimetallic clusters, Computational and Theoretical Chemistry 1045, 35–40 (2014). 3
48) Huaqiao Tan, Zhao Zhao, Mang Niu, Chengyu Mao, Dapeng Cao,* Daojian Cheng, Pingyun Feng,* and Zaicheng Sun*, A Facile and Versatile Method for Preparation of Colored TiO2 with Enhanced Solar-Driven Photocatalytic Activity, Nanoscale, 6, 10216(2014). 39
49) Zheng Zhao, Mingjiang Li, Daojian Cheng*, and Jiqin Zhu*, Understanding the structural properties and thermal stabilities of Au-Pd-Pt trimetallic clusters, Chemical Physics, 441, 152-158(2014). 6
50) Shaojie Li, Daojian Cheng*, Xiangguo Qiu, and Dapeng Cao, Synthesis of Cu@Pd core-shell nanowires with enhanced activity and stability for formic acid oxidation, Electrochimica Acta, 143, 44-48(2014). 15
51) Daojian Cheng*, Xiangguo Qiu, and Haiyan Yu, Enhancing oxygen reduction reaction activity of Pt-shelled catalysts via subsurface alloying, Physical Chemistry Chemical Physics, 16, 20377-20381(2014). 7
52) Mang Niu, Daojian Cheng*, and Dapeng Cao*, Fluorite TiO2(111) Surface Phase for Enhanced Visible-Light Solar Energy Conversion, Journal of Physical Chemistry C, 118, 20107-20111(2014). 3
53) Wei Zhang,Daojian Cheng*, and Jiqin Zhu*, Theoretical study of CO catalytic oxidation on the free and defective graphene-supported Au-Pd bimetallic clusters, RSC Advances, 4, 42554–42561(2014). 9
54) Chenxi Yang, Jian-Feng Chen, Xiaofei Zeng*,Daojian Cheng*, and Dapeng Cao, Design of the Alkali-Metal-Doped WO3 as a Near-Infrared Shielding Material for Smart Window, Industrial & Engineering Chemistry Research, 53, 17981–17988(2014). 8
55) Haoxiang Xu, Daojian Cheng*, Effect of the Passivating Ligands on the Geometric and Electronic Properties of Au–Pd Nanoalloys, Journal of Cluster Science, 26, 799–813 (2015)
56) Yang Yang, Zheng Zhao, Rong Cui, Hao Wu, and Daojian Cheng*, Structures, Thermal Stability, and Chemical Activity of Crown-Jewel Structured Pd-Pt Nanoalloys, J. Phys. Chem. C, 119, 10888?10895 (2015) (Invited paper for Special Issue: Current Trends in Clusters and Nanoparticles). 4
57) Jian Wang, Wenyan Yuan*,and Daojian Cheng*, Hybrid genetic–particle swarm algorithm: An efficient method for fast optimization of atomic clusters, Computational and Theoretical Chemistry, 1059, 12-17 (2015)
58) Mang Niu, Rong Cui, Hao Wu, Daojian Cheng*, and Dapeng Cao*, Enhancement Mechanism of the Conversion Effficiency of Dye-Sensitized Solar Sells Based on Nitrogen, Fluorine, and Iodine-Doped TiO2 Photoanodes, J. Phys. Chem. C, 119, 13425–13432 (2015). 5
59) Dengfeng Wu, Changqing Dai, Shaojie Li, and Daojian Cheng*, Shape-controlled Synthesis of PdCu Nanocrystals for Formic Acid Oxidation, Chem. Lett., 44, 1101–1103 (2015). 2
60) Mang Niu, Huaqiao Tan, Daojian Cheng*, Zaicheng Sun*, and Dapeng Cao*, Bandgap engineering of Magnéli phase TinO2n-1: Electron-hole self-compensation, J. Chem. Phys., 143, 054701 (2015). 1
61) Wei Zhang, Aslihan Sumer, Julius Jellinek*, andDaojian Cheng*, Morphology Tailoring of Pt Nanocatalysts for the Oxygen Reduction Reaction: The Paradigm of Pt13,ChemNanoMat, 1, 482–488 (2015) (This paper has been Selected as Front Cover)
62) Qian Wang, Yu Fang, Hong Meng, Wei Wu*, Guangwen Chu, Haikui Zou, Daojian Cheng*, Jianfeng Chen, Enhanced simulated sunlight induced photocatalytic activityby pomegranate-like S doped SnO2@TiO2spheres, Colloids and Surfaces A: Physicochemical and Engineering Aspects, 482, 529–535 (2015). 1
63) Le Chang, Zhiping Liu*, and Daojian Cheng*, Optical properties of Ag-Au nanoclusters for sulphide sensing from TDDFT calculations, Journal of Alloys and Compounds, 653, 363-368 (2015)
64) Wei Zhang, Rong Cui, Hao Wu, Jiqin Zhu*, and Daojian Cheng*, CO oxidation mechanism on a MgO(100) supported PtxAu3-x clusters, Applied Surface Science, 356, 282–288 (2015). 1
65) Dengfeng Wu, and Daojian Cheng*, Core/shell AgNi/PtAgNi nanoparticles as methanol-tolerant oxygen reduction electrocatalysts, Electrochimica Acta, 180, 316–322 (2015). 7
66) Xinyue Liu, Changqing Dai, Dengfeng Wu, Adrian Fisher, Zhiping Liu*, and Daojian Cheng*, Facile synthesis of PdAgCo trimetallic nanoparticles for formic acid electrochemical oxidation, Chemistry Letters, 45(7), 732-734 (2016)
67)Daojian Cheng*, Preface to the special issue on Frontiers of Molecular Simulation in ChinaMolecular Simulation, 42(10), 783 (2016) (Guest Editor for Special Issue: Frontiers of Molecular Simulation in China)
68) Zheng Zhao, Adrian Fisher, Yanchun Shen, Daojian Cheng*, Magnetic Properties of Pt-Based Nanoalloys: A Critical Review, Journal of Cluster Science 27, 817-843 (2016) (Invited paper for Special Issue: Magnetic Clusters: Synthesis, Structure, Bonding, Properties, and Assemblies -- Building a Nanomaterials Base for Spintronics)
69) Le Chang, Adrian Fisher, Zhiping Liu* and Daojian Cheng*, Highly sensitive and selective colorimetric detection of sulphide using Ag–Au nanoalloys: a DFT study, RSC Advances, 6, 16285-16291 (2016).1
70) Chenxi Yang, Jian-Feng Chen*, Xiaofei Zeng*, Daojian Cheng*, Haifeng Huan and Dapeng Cao, Enhanced near-infrared shielding ability of (Li,K)-codoped WO3 for smart windows: DFT prediction validated by experiment, Nanotechnology 27, 075203 (2016).1
71) Zheng Zhao, Adrian Fisher and Daojian Cheng*, Phase diagram and segregation of Ag–Co nanoalloys: insights from theory and simulation, Nanotechnology 27, 115702 (2016). 2
72) Le Chang, Adrian Fisher, Zhiping Liu*, Daojian Cheng *, A density functional theory study of sulfur adsorption on Ag–Au nanoalloys, Comput. Theor. Chem. 2016, 1085, 66–74 (2016).
73) Lu Jiang, Wei Zhang, Congguang Luo, Daojian Cheng, and Jiqin Zhu*, Adsorption toward trivalent rare earth element from aqueous solution by zeolitic imidazolate frameworks, Ind. Eng. Chem. Res. 2016, 55, 6365?6372 (2016). 1
74) Yang Yang, Changqing Dai, Yanchun Shen*, Adrian Fisher, Daojian Cheng *, Design of binary and ternary platinum shelled electrocatalysts with inexpensive metals for the oxygen reduction reaction, Int. J. Hydrogen Energ. 2016, 41, 13014-13023 (2016). 1
75) Daojian Cheng*, Dengfeng Wu, Haoxiang Xu, and Adrian Fisher, Composition–controlled Synthesis of PtCuNPs Shells on Copper Nanowires as Electrocatalysts, ChemistrySelect 2016, (1), 4392–4396 (2016)
76) Chengcheng Wei, Zheng Zhao,drian Fisher, Jiqin Zhu* and Daojian Cheng* Theoretical Study on the Structures and Thermal roperties of Ag–Pt–Ni Trimetallic Clusters, Journal of Cluster Science DOI: 10.1007/s10876-016-1068-x (2016)
77) Changqing Dai, Yang Yang, Adrian Fisher, Zhiping Liu*,and Daojian Cheng*, Interaction of CO2 with metal cluster-functionalized ionic liquids, J. CO2 Util. 2016, (16)257–263 (2016)
78) Dengfeng Wu, Haoxiang Xu, Dapeng Cao, Adrian Fisher, Yi Gao,* and Daojian Cheng*, PdCu Alloy Nanoparticle-Decorated Copper Nanotubes as Enhanced Electrocatalysts: DFT Prediction Validated by Experiment, Nanotechnology 27, 495403 (2016)
79) Haiyan Yu, Adrian Fisher, Daojian Cheng*, and Dapeng Cao*, Cu,N-codoped Hierarchical Porous Carbons as Electrocatalysts for Oxygen Reduction Reaction, ACS Appl. Mater. Interfaces 2016, 8, 21431?21439 (2016)
80) Dongmei Ren, Gang Cheng, Jianwei Li*, Jinbing Li,Wujun Dai, XinXin Sun, and Daojian Cheng*, Effect of rhenium loading sequence on selectivity of Ag-Cs catalyst for ethylene epoxidation Catalysis Letters (2017) https://doi.org/10.1007/s10562-017-2211-5
81) Yang Yang, Weijie Zheng, Daojian Cheng* and Dapeng Cao*, Designing transition metal and nitrogen-codoped SrTiO 3 (001) perovskite surfaces as efficient photocatalysts for water splitting, Sustainable Energy & Fuels, 2017 DOI: 10.1039/c7se00219j
82) Yongsheng Wei, Xingkai Huang, Junyan Wang, Haiyan Yu, Xinsheng Zhao, Daojian Cheng*, International Journal of Hydrogen Energy 42 (2017) 25860-25868
83) Xingkai Huang, Dengfeng Wu, Daojian Cheng*, Porous Co2P nanowires as high efficient bifunctional catalysts for 4-nitrophenol reduction and sodium borohydride hydrolysis, Journal of Colloid and Interface Science 507 (2017) 429–436
84) Dongmei Ren, Haoxiang Xu, Jianwei Li*, Jinbing Li, Daojian Cheng*, Molecular Catalysis 441 (2017) 92–99
85) Yang Yang, Changqing Dai, Adrian Fisher, Yanchun Shen*, and Daojian Cheng*, J. Phys.: Condens. Matter 29 (2017) 365201
86) Xing Zhang, Dengfeng Wu, Daojian Cheng*, Component-dependent electrocatalytic activity of PdCu bimetallic nanoparticles for hydrogen evolution reaction, Electrochimica Acta 246 (2017) 572–579
87) Lian X, Zhao Z, Daojian Cheng*. Recent progress on triphenylamine materials: synthesis, properties, and applications. Molecular Crystals and Liquid Crystals, 2017, 648: 223-235
88) Zheng Zhao, Fang-Hui Wang, Adrian Fisher, Yanchun Shen*, Daojian Cheng*, Journal of Alloys and Compounds 708 (2017) 1150-1160
89) Haiyan Yu, Dapeng Cao, Adrian Fisher, Roy L. Johnston, Daojian Cheng*, Size effect on the adsorption and dissociation of CO 2 on Co nanoclusters, Appl. Surf. Sci. 396, 539–546 (2017)27–36
90) Wei Zhang, Shiyao Shan, Jin Luo, Adrian Fisher, Jian-Feng Chen, Chuan-Jian Zhong,* Jiqin Zhu,* and Daojian Cheng*, Origin of Enhanced Activities for CO Oxidation and O2 Reaction over Composition-Optimized Pd50Cu50 Nanoalloy Catalysts, J. Phys. Chem. C 2017, 121, 11010-11020
91) Bailu Yan, Zheng Zhao, Yingcheng Zhou, Wenyan Yuan*, Jian Li, Jun Wu, Daojian Cheng*, Computer Physics Communications 219 (2017) 79–86
92) Chenxi Yang, Jian-Feng Chen, Xiaofei Zeng*, and Daojian Cheng*, Enhanced photochemical performance of hexagonal WO3 by metal-assisted S-O coupling for solar-driven water splitting, SCIENCE CHINA Materials, 2017 DOI:10.1007/s40843-017-9126-1
93) Lin Zhu, Wei Zhang, Jiqin Zhu*, Daojian Cheng*, Mechanistic insight into the facet-dependent selectivity of ethylene epoxidation on Ag nanocatalysts, Applied Catalysis A: General 538 (2017)
94) Lin Zhu, Wei Zhang, Jiqin Zhu*, and Daojian Cheng*, Ni (111)-supported graphene as a potential catalyst for high-efficient CO oxidation, Carbon 116, 201-209 (2017)
95) Haoxiang Xu, Cong-Qiao Xu, Daojian Cheng*, and Jun Li* Catalysis Science & Technology 2017, 7, 5860–5871
96) Dengfeng Wu, Wei Zhang, and Daojian Cheng*, Facile Synthesis of Cu/NiCu Electrocatalysts Integrating Alloy, Core-Shell, and One-Dimensional Structures for Efficient Methanol Oxidation Reaction, ACS Appl. Mater. Interfaces 2017, 9, 19843-19851
97) Aixian Shan, Chinping Chen*, Wei Zhang, Daojian Cheng*, Xi Shen, Richeng Yu*, and Rongming Wang*, Giant enhancement and anomalous temperature dependence of magnetism in monodispersed NiPt2 nanoparticles, Nano Research 2017, 10:3238-3247 47
98) Changqing Dai, Yang Yang, Zheng Zhao, Adrian Fisher, Zhiping Liu* and Daojian Cheng*, From mixed to three-layer core/shell PtCu nanoparticles: ligand-induced surface segregation to enhance electrocatalytic activity, Nanoscale 2017, 9, 8945–8951
99) Xuepei Miao*, Daojian Cheng*, Yadong Dai, Yan Meng, and Xiaoyu Lia*, Origin of Modulus Improvement for Epoxide-terminated Hyperbranched Poly(ether sulphone)/DGEBA/TETA Systems, Chinese Journal of POLYMER SCIENCE, 2018, https://doi.org/10.1007/s10118-018-2114-y
100) Xiaojun Lian, Mang Niu, Yan Huang*, Daojian Cheng*, MoS2-CdS heterojunction with enhanced photocatalytic activity: A first principles study, Journal of Physics and Chemistry of Solids, 2018, 120, 52–56
101) Dengfeng Wu, Xing Zhang, Jiqin Zhu and Daojian Cheng*, Concerted Catalysis on Tanghulu-like Cu@Zeolitic Imidazolate Framework-8 (ZIF-8) Nanowires with Tuning Catalytic Performances for 4-nitrophenol Reduction, Engineered Science, 2018, 2, 143–150
102) Yang Yang, Haiyan Yu, Yushun Cai, Riccardo Ferrando and Daojian Cheng*, Origin of enhanced stability and oxygen adsorption capacity of medium-sized Pt-Ni nanoclusters, Journal of Physics: Condensed Matter, 2018, https://doi.org/10.1088/1361-648X/aaca09
103) Yan Huang, Dengfeng Wu*, Dapeng Cao and Daojian Cheng*, Facile preparation of biomass-derived bifunctional electrocatalysts for oxygen reduction and evolution reactions, International Journal of Hydrogen Energy, 2018, 43, 8611–8622
104) Zhenhao Li, Lin Zhu, Jian-Feng Chen and Daojian Cheng*, Enhanced Ethylene Oxide Selectivity by Cu and Re Dual-Promoted Ag Catalysts, Ind. Eng. Chem. Res. 2018, 57, 4180?4185
105) Zegao Wang, Qiang Li, Haoxiang Xu, Christian Dahl-Petersen, Qian Yang, Daojian Cheng, Dapeng Cao, Flemming Besenbacher, Jeppe V. Lauritsen, Stig Helveg, Mingdong Dong*. Controllable etching of MoS2 basal planes for enhanced hydrogen evolution through the formation of active edge sites, Nano Energy, 2018, 49, 634?643
106) Liu Yang#, Daojian Cheng# (Co-first author), Haoxiang Xu, Xiaofei Zeng, Xin Wan, Jianglan Shui, Zhonghua Xiang and Dapeng Cao*. Unveiling the high-activity origin of single-atom iron catalysts for oxygen reduction reaction. PNAS, 2018, doi/10.1073/pnas.
107) Haoxiang Xu, Daojian Cheng*, and Yi Gao*. Design of High-Performance Pd-based Alloy Nanocatalysts for Direct Synthesis of H2O2, ACS Catalysis 2017, 7, 2164?2170
108) Y.-C. Huang, J. Hu, H.-X. Xu, W. Bian, J.-X. Ge, D.-J. Zang, D.-J. Cheng*, Y.-K. Lv, C. Zhang*, J. Gu*, Y.-G. Wei*. Fine Tuning Electronic Structure of Catalysts through Atomic Engineering for Enhanced Hydrogen Evolution, Adv. Energy Mater., 2018, DOI: 10.1002/aenm.
109) Kamal Elouarzaki, Daojian Cheng, Adrian C. Fisher and Jong-Min Lee*. Coupling orientation and mediation strategies for efficient electron transfer in hybrid biofuel cells, Nature Energy, 2018, doi:10.1038/s41560-018-0166-4
110) Haoxiang Xu, Daojian Cheng*, Dapeng Cao* and Xiao Cheng Zeng*. A universal principle for a rational design of single-atom electrocatalysts, Nature Catalysis, 2018, 1, 339–348



论著专利
共申请发明专利9项，其中授权专利1项。
1) 一种形貌可控的铂铜纳米颗粒的制备方法，CN7.X，**，程道建，戴长庆，杨洋，刘新月（已授权）
2) 一种金属纳米团簇结构优化方法，CN3.8，**，程道建，周营成，赵政，袁文燕
3) 一种油相化学还原制备铜纳米线的方法，CN2.3，**，程道建，吴登峰，戴长庆，陈兵，李少杰
4) 一种铜纳米线负载银纳米颗粒的零维一维复合材料的制备方法，CN2.4，**，程道建，曹达鹏，于海燕，靳凯文，吴登峰，黄兴凯，戴长庆，张星
5) 一种核壳铜纳米线/有机金属骨架复合催化剂及其制备方法和应用，CN1.2，**，程道建，张星，于海燕，靳凯文
6) 一种常温常压快速制备铜纳米线-金属有机骨架ZIF-8复合材料的方法，CN0.8，**，程道建，曹达鹏，于海燕
7) 一种利用生物质高效制备多孔氮掺杂碳纳米片的方法及其应用，CN7.6，**，程道建，吴登峰，于海燕，戴长庆，靳凯文，黄兴凯，张星
8) 对硝基苯酚加氢负载型蛋黄-蛋壳纳米结构催化剂及制法，8.4，**，程道建，杨梦洁，吴登峰，戴长庆，李超
9) 一种简易制备单分散铂铜双金属纳米颗粒的方法，8.X，**，程道建，李超，杨梦洁，戴长庆，吴登峰，李茜

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化工计算机数据与图形处理
化工应用数学

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