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Faculty and Staff

Professor Daojian Cheng

 

Professor Daojian Cheng

Office: Room 1307, Building of science and technology

Tel: +86-10-6445-3523-605

Fax: +86-10-6442-7616

E-mail: chengdj@mail.buct.edu.cn  

Address: Post Box 100, Beijing University of Chemical Technology, No.15 Beisanhuan East Road, Chaoyang District, Beijing 100029, P.R. China

Education:

Sept. 2004 – June 2008. Ph.D. in Chemical Engineering from College of Chemical Engineering, Beijing University of Chemical Technology (BUCT), Beijing, P. R. China

Sept. 2000 – July 2004. B.S. in Computer Science and Technology from College of Computer Science and Technology, BUCT, Beijing, P. R. China

Research Experience

Jau. 2015 – Now. Professor in College of Chemical Engineering, Beijing University of Chemical Technology, Beijing, P. R. China

Dec. 2010 – Dec. 2014. Associate Professor in College of Chemical Engineering, Beijing University of Chemical Technology, Beijing, P. R. China

Mar. 2010 – Apr. 2010. EC-funded HPC-Europa2 visitor programme in Institute for Physical and Chemical Processes (IPCF), Italian Research Council (CNR), Pisa, Italy

Oct. 2008 – Nov. 2010. Postdoctoral Research Fellow in Physique des Solides Irradiés et des Nanostructures, Université Libre de Bruxelles (ULB), Bruxelles, Belgium

 

Research interests: 

Theoretical and experimental studies of metallic "nanoalloy" catalysts for renewable clean energy and environmental protection applications

 

1. Molecular simulation: Structural and thermal properties of free and supported bimetallic "nanoalloy" cluster and nanowire catalysts, especially in relation to the composition, morphology, ligand and support

 

2. DFT calculation: Adsorption and reaction properties of free and supported bimetallic "nanoalloy" cluster catalysts (e.g. oxygen reduction reaction and CO oxidation), especially in relation to the composition, morphology and support

 

3. Experiment: Preparation, characterization and catalytic performance of bimetallic "nanoalloy" catalysts (e.g. nanowire, nanoparticle, and nanaocube) for electrocatalysis (e.g. ORR/FAO/MOR/HOR), CO oxidation, hydrogenation and photocatalysis, especially in relation to the composition, morphology and support

 

Publications

  • 2015

65) Dengfeng Wu, and Daojian Cheng*, Core/shell AgNi/PtAgNi nanoparticles as methanol-tolerant oxygen reduction electrocatalysts, Electrochimica Acta, 180, 316–322 (2015)
http://www.sciencedirect.com/science/article/pii/S0013468615303753
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)
http://www.sciencedirect.com/science/article/pii/S0169433215018942
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)
http://www.sciencedirect.com/science/article/pii/S0925838815310069
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)
http://www.sciencedirect.com/science/article/pii/S0927775715300303
61) Wei Zhang, Aslihan Sumer, Julius Jellinek*, and Daojian Cheng*, Morphology Tailoring of Pt Nanocatalysts for the Oxygen Reduction Reaction: The Paradigm of Pt13, ChemNanoMat, 1, 482 –488 (2015)
http://dx.doi.org/10.1002/cnma.201500107
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)

http://scitation.aip.org/content/aip/journal/jcp/143/5/10.1063/1.4928062

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)
https://www.jstage.jst.go.jp/article/cl/44/8/44_150386/_article
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)
http://pubs.acs.org/doi/pdfplus/10.1021/acs.jpcc.5b02652
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)
http://dx.doi.org/10.1016/j.comptc.2015.02.003
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)
http://pubs.acs.org/doi/abs/10.1021/jp5107108
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)
http://link.springer.com/article/10.1007/s10876-014-0755-8#

  • 2014

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)
http://pubs.acs.org/doi/abs/10.1021/ie503284x
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)

http://pubs.rsc.org/en/content/articlelanding/2014/RA/c4ra05084c
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)
http://pubs.acs.org/doi/abs/10.1021/jp504818j

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)
http://pubs.rsc.org/en/content/articlepdf/2014/cp/c4cp02863e
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)
http://www.sciencedirect.com/science/article/pii/S001346861401593X

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) http://www.sciencedirect.com/science/article/pii/S030101041400216X

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)
http://pubs.rsc.org/en/content/articlepdf/2014/nr/c4nr02677b

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)
http://dx.doi.org/10.1016/j.comptc.2014.06.023

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 Sources 267, 380–387(2014)
http://www.sciencedirect.com/science/article/pii/S0378775314007976

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)
http://www.nature.com/srep/2014/140502/srep04810/full/srep04810.html

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)
http://www.sciencedirect.com/science/article/pii/S0021951714000797

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)
http://pubs.acs.org/doi/abs/10.1021/jp412556r

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)
http://pubs.acs.org/doi/abs/10.1021/jp410363n

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)
http://www.sciencedirect.com/science/article/pii/S092702561400024X

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)
http://pubs.acs.org/doi/abs/10.1021/jp4075674

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)
http://www.sciencedirect.com/science/article/pii/S0927025613004722

  • 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)
http://pubs.acs.org/doi/abs/10.1021/jp4062835

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)
http://iopscience.iop.org/0953-8984/25/35/355008

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)
http://pubs.acs.org/doi/abs/10.1021/jp4038792

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)
http://www.sciencedirect.com/science/article/pii/S0039602812004025

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)
http://onlinelibrary.wiley.com/doi/10.1002/cssc.201200872/abstract

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)
http://www.sciencedirect.com/science/article/pii/S0009261413002947

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)

http://www.sciencedirect.com/science/article/pii/S0360319912024354

  • 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) 
http://iopscience.iop.org/0957-4484/23/39/395702

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 Compounds 539, 221-225(2012) 
http://www.sciencedirect.com/science/article/pii/S0925838812009929

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) 
http://www.sciencedirect.com/science/article/pii/S0013468612008328

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) 
http://iopscience.iop.org/0022-3727/45/16/165302

27) Daojian Cheng*, W. Wang, Tailoring of Pd–Pt bimetallic clusters with high stability for oxygen reduction reaction, Nanoscale 4, 2408-2415 (2012).

http://pubs.rsc.org/en/content/articlehtml/2012/nr/c2nr12097f

  • 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)
http://www.sciencedirect.com/science/article/pii/S0926337311002797

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)
http://pubs.acs.org/doi/abs/10.1021/jp2028092

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
http://scitation.aip.org/content/aip/journal/apl/99/20/10.1063/1.3662968

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)
http://link.springer.com/article/10.1140/epjd/e2011-20129-9

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)

http://www.tandfonline.com/doi/abs/10.1080/00268976.2010.533708

  • 2001-2010

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)
http://www.sciencedirect.com/science/article/pii/S0009261410005002

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)
http://link.springer.com/article/10.1140/epjd/e2010-00046-3

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)
http://www.tandfonline.com/doi/abs/10.1080/08927021003762720

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)
http://link.springer.com/article/10.1140/epjb/e2010-00086-5#

17) Xin Liu, Daojian Cheng, and Dapeng Cao. The structure, energetics and thermal evolution of SiGe nanotubes.  Nanotechnology 20, 315705(2009)
http://iopscience.iop.org/0957-4484/20/31/315705

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)
http://www.sciencedirect.com/science/article/pii/S0039602809001484

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)
http://pubs.acs.org/doi/abs/10.1021/jp809628w

14) Daojian Cheng and Dapeng Cao. Ternary alloying effect on the melting of metal clusters. European Physical Journal B, 2008, 66, 17.
http://link.springer.com/article/10.1140/epjb/e2008-00377-4# 
13) Daojian Cheng and Dapeng Cao. Structural Transition and Melting of Onion-Ring Pd-Pt Bimetallic Clusters. Chemical Physics Letters, 2008, 461, 71.
http://www.sciencedirect.com/science/article/pii/S0009261408008786

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)
http://pubs.rsc.org/en/Content/ArticleLanding/2008/CP/b800630j#!divAbstract

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)
http://pubs.acs.org/doi/abs/10.1021/jp711754h

10) Daojian Cheng, Wenchuan Wang, Shiping Huang, and Dapeng Cao. Atomistic Modeling of Multishell Onion-Ring Bimetallic Nanowires and Clusters. Journal of Physical Chemistry C 112, 4855-4860(2008)
http://pubs.acs.org/doi/abs/10.1021/jp0776863

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)
http://iopscience.iop.org/0256-307X/24/6/062

8) Daojian Cheng, Wenchuan Wang, and Shiping Huang. Core-shell structured bimetallic clusters and nanowires. Journal of Physics: Condensed Matter 19, 356217(2007)
http://iopscience.iop.org/0953-8984/19/35/356217

7) Daojian Cheng, Xin Liu, Dapeng Cao, Wenchuan Wang and Shiping Huang. Surface segregation of Ag-Cu-Au trimetallic clusters. Nanotechnology 18, 475702(2007)
http://iopscience.iop.org/0957-4484/18/47/475702

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)
http://pubs.acs.org/doi/abs/10.1021/jp066306v

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)
http://pubs.acs.org/doi/abs/10.1021/jp070534n

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)
http://link.springer.com/article/10.1140/epjd/e2006-00069-3#

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)
http://www.sciencedirect.com/science/article/pii/S0301010406005039

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) 
http://prb.aps.org/abstract/PRB/v74/i6/e064117

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)

http://pubs.acs.org/doi/abs/10.1021/jp063721e

 

 

 

Written by: | Source: | 2015-12-16