QiaoSun,PhD

Professor,School of Radiation Mediation and Protection, Soochow University，

Suzhou, Jiangsu, 215006, China

Tel: 86-13812649395, Fax: 86-512-65884830

E-mail: sunqiao@suda.edu.cn

Education Background:

PhD inPhysicalChemistry,Institute of Chemistry, Chinese Academy of Sciences, China, 2005.

MSc inPhysical Chemistry,Qufu NormalUniversity, China, 2002.

BSc inEducationalChemistry,Qufu NormalUniversity, China, 1999.

ProfessionalExperience:

12.2014---present:Professor atSchool of Radiation Mediation and Protection, Soochow University, China.

07.2014---11.2014:Research FellowatInstitute ofSuperconducting & Electronic Materials, University of Wollongong, Australia.

03.2014---06.2014:Research FellowatHealth Innovations Research Institute, School of Aerospace, Mechanical and Manufacturing Engineering, RMIT University, Australia.

01.2008---02.2014:Research FellowandUQPostdoctoral Research Fellowshipwith supervisors of Prof Sean C. Smithand Prof Debra J. BernhardtattheCentre for Computational Molecular Science, Australian Institute of Bioengineering and Nanotechnology, The University of Queensland, Brisbane, Australia.

04.2010---08.2010: Queensland International Fellowship supportted by the Queensland Governmentwith host professorWalter Thiel inMax-Planck-Institut für Kohlenforschung, Mülheim, Germany.

12.2009---03.2010:Queensland International Fellowship supportted by the Queensland Government, with host professor, Stefan Fischer, fromComputational Biochemistry Group at theUniversity of Heidelberg,Germany.

03.2008---06.2008: Visitor ofProfWalter Thiel’sgroupinMax-Planck-Institut für Kohlenforschung, Mülheim, Germany.

10.2006---09.2007:Research associate in group of ProfNotker. R?sch atDepartment of chemistry,Technical University of Munich, Munich, Germany.

10.2005---09.2006:Research associate in group of Prof.Bogdan Z. Dlugogorski at Faculty of Engineering and Built Environment, The University of Newcastle,NSW,Australia.

Research Interests:

·Capture and separation of radioactive nuclides and carbon dioxide by using nanomaterials

·Interaction ofbiomolecules and nanomaterials

Research Experience andAccomplishments:

(1)I have engaged a number of research topics, including

·Quantum Mechanical (QM) study ofgreenhouse gas capture, separation and conversion,carbon dioxide sequestration, application of Boron nitride materials

·Quantum Mechanical/Molecular Mechanism (QM/MM) study of big biomolecules (e.g., structural, energetic, spectra, mechanism, functional and dynamics properties)

·Theoretical study ofHeterogeneous Catalytic Reactionson nanomaterials

(2)I alsoengaged inthe professional activities such as organizing conference and editorial role.

·I was a member of the conference committee of the international conference of Australia Molecular Modeling-MM2009, at Gold Coast, Queensland, Australia, from the 26th to 29th July, 2009.

·I was an editor for conference manuscripts of the 2010 International Conference on Nanoscience and Nanotechnology (ICONN 2010, in Sydney from 22th to 26th February, 2010) of Symposium 6: Computational Nanotechnology (Modelling and Simulation).

(3)I have co-supervised 3 PhD students and one summer vacation student.

·Mohammend Alterawneh, PhD student of the University of Newcastle, with research topic of formation mechanism of dioxin by using DFT methods. We published a joint paper inEnviron. Sci. Technol.,2007, 41, 5708(impact factor is 5.26).

·Yingying Ma (PhD student) was fromBeijing Normal University (BNU) and was jointly supervised with Prof Jianguo Yu at BNU. Ms Ma visited UQ forone year from2009-2010 and I successfully worked with and mentoredherin computational studies ofgreen fluorescent proteinmaturation mechanismsby using QM/MM calculations.We have published four jointed papers including 2 inJ. Phys. Chem. B.

·Meng Wang (PhD student)was a student visiting from the China University of Petroleum and working with me on the topic of CO2capture on BN nanomaterials, and we published 5 joint papers.

·MrJose Agustin FOmanawas asummer vacation student. I have supervised him with a research topic of theoretical study carbon monoxide activation on MoS2nanosheet.

Recent Publications:
Scholarly book chapters

1.Zhen Li,Qiao Sun,Zhonghua Zhu, Sean C Smith,Gaoqing (Max) Lu,Colloidal Semiconductor Nanowiresin Edited book by Tianyou Zhai and Jiannian Yao, 1stedit, Wiley-VCH, 2013.

2.Hong Zhang,Qiao Sun,Sufan Wang, Seth Olsen and Sean C Smith,Theoretical Studies of Green and Red Fluorescent Proteins,in edited book by Ke-Li Han and Guang-Jiu Zhao, Nova Science Publishers, Inc, 2010.

Refereed journal articles (IF: impact factor of 2013)

3.Chao Han,Qiao Sun, Zhengxiang Cheng, Jianli Wang, Zhen Li,Gaoqing Lu,Shixue Dou,Ambient Scalable Synthesis of Surfactant-free Thermoelectric CuAgSe Nanoparticles with Reversible Metallic-n-p Conductivity Transition,J. Am. Chem. Soc.,2014, 136, 17626-17633.(IF=11.4)

4.Yingying Ma, Jian-Guo Yu,Qiao Sun,Zhen Li, Sean C. Smith, The mechanism of dehydration in chromophore maturation of wild-type green fluorescent protein: A theoretical study,Chem. Phys. Lett., 2015, 631–632, 42–46.(Corresponding Author,IF = 2.15)

5.Weihua Wang, Xiaoxiao Zhang, Ping Li, Qiao Sun, Zhen Li, Cong Ren, and Chao Guo, CO2Capture and Separation from N2/CH4Mixtures by Co@B8/Co@B8-and M@B9/M@B9?(M = Ir, Rh, Ru) Clusters: A Theoretical Study,J. Phys. Chem. A,2015,119, 796–805.(Corresponding Author,IF =2.77)

6.Xinqi Chen, Zhen Li, Yang Bai,Qiao Sun, Lianzhou Wang,Shixue Dou,Room-temperature synthesis of Cu2-xE (E =S, Se) nanotubes with hierarchical architecture ashigh-performancecounter electrodesof quantum-dots-sensitized solar cells,Chem.-A Euro J,2014,21, 1055-1063.(IF =5.7,hot article and back cover).

7.Xinqi Chen, Zhen Li, Jianping Yang,Qiao Sun,Shixue Dou, Aqueous Preparation of Surfactant-free Copper Selenide Nanowires,J. Colloid & Interface,2015,442, 140-146,(IF = 3.5).

8.Qiao Sun,Caixia Sun, Aijun Du, Zhen Li, Charged-controlled Separation of Nitrogen from Natural Gas Using Boron Nitride Fullerene,J. Phys. Chem. C,2014,118, 30006-30012.(IF = 4.8)

9.Qiao Sun, Meng Wang, Zhen Li, Aijun Du,Debra J Searles,Carbon Dioxide Capture and Gas Separation on B80Fullrene.J. Phys. Chem.C, 2014, 118, 2170–2177.(Corresponding Author,IF = 4.81)

10.Qiao Sun, Meng Wang, Zhen Li, Aijun Du,Debra J Searles,A Computational Study of Carbon Dioxide Adsorption on Solid Boron,Phys. Chem. Chem. Phys.,2014,16, 12695-12702.(Corresponding Author,IF =3.83)

11.Xiaojun Tan,Weihua Wang,Qiao Sun,Ying Jing, Ping Li,Theoretical study of the ring expansion reaction mechanism of cyclopropenylidene with azetidine,J. Mol.Model.,2014,20,2088.(Corresponding Author,IF = 1.99)

12.Zhen Li,Qiao Sun,Yian Zhu, Bien Tan, Zhiping Xu, Shixue Dou, Ultra-small fluorescent inorganic nanoparticles for bioimaging,J. Mater. Chem. B, 2014,2, 2793-2818.（Feature article,IF = 6.10)

13.Ya-Nan Hou, Xue-Ting Xu, Na Xing, Feng-Ying Bai, Shi-Bo Duan,Qiao Sun,Si-Yue Wei1, Zhan Shi, Huan-Zhi Zhang andYong-Heng Xing,Photocatalytic Application of 4f-5f Inorganic-organic Frameworks: Influence of Lanthanide Contraction on the Structure and Functional Properties of a Series of Uranyl-Lanthanide Complexes,ChemPlusChem, 2014,79,1304-1315.(IF=3.24)

14.Qiao Sun, Zhen Li, Debra J Searles, Ying Chen, Gaoqing Lu, Aijun Du,Charge controlled switchable CO2capture on boron nitride nano-materials,J. Am. Chem. Soc.,2013,135, 8246–8253.(Highlighted in Chemical & Engineering News,IF =11.44)

15.Qiao Sun, Meng Wang, Zhen Li, Ping Li, Weihua Wang, Xiaojun Tan, Aijun Du,Nitrogen Removal from Natural Gas using Solid Boron: A First-Principles Computational Study,Fuel,2013,109, 575–581.(Corresponding Author,IF = 3.36)

16.Qiao Sun, Meng Wang, Zhen Li, Yingying Ma, Aijun Du,CO2Capture and Gas Separation on Boron Carbon Nanotubes,Chem. Phys. Lett.,2013,575,59–66.(Corresponding Author,IF = 2.15)

17.GeSong,Qiao Sun,Ya-Nan Hou,Zhan Rui, Dong-Ming Wei,Zhan Shi, Yong-Heng Xing,Synthesis, Structure and Quantum Chemistry Study of the 4-Iodopyrazole Copper Complexes,,Chinese J. Inorg. Chem.,2013,29,2150-2156.

18.Chen Chen,Qiao Sun,Dong-Xue Ren,Rui Zhang,Feng-Ying Bai,Yong-Heng XingandZhan Shi,Bromoperoxidase mimic as catalysts for oxidative bromination-synthesis, structures and properties of the diversified oxidation state of vanadium (III, IV and V) complexes with pincerN-heterocycle ligands,CrystEngComm, 2013,15,5561-5573.(IF =3.88)

19.Ping Li, Weihua Wang,Qiao Sun, Zhen Li, Aijun Du, Siwei Bi, Yan Zhao, Insights into the reaction mechanisms between tetrachloro-p-benzoquinone and hydrogen peroxide and implications for the catalytic role of water molecules in producing the hydroxyl radial,ChemPhysChem, 2013,14,2737-2743.(IF =3.35)

20.Zhen Li, Shuxia Wang,Qiao Sun, Hongli Zhao, Hao Lei, Mingbo Lan, Zhengxiang Cheng, Xiaolin Wang, Souxue Dou, Gaoqing Lu, Ultrasmall manganese ferrite nanoparticles as positive contrast agent for manganese enhanced magnetic resonance imaging,Adv. Healthcare. Mat.,2013,2,958-964.

21.Xiaojun Tan,Zhen Li,Qiao Sun,Ping Li, Weihua Wang, Mengyuan Wang, Yungang Chen,Theoretical study on the reaction mechanisms between propadienylidene and R-H (R=F, OH, NH2, CH3): An alternative approach to the formation ofalkyne,Struct.Chem., 2013,24,33-38.(IF = 1.77)

22.Qiao Sun,Zhen Li, Aijun Du, Jiuling Chen, Zhonghua Zhu, Sean C. Smith,Theoretical study of two states reactivity of methane activation on iron atom and iron dimer,Fuel,2012,96, 291–297.(Corresponding Author,IF = 3.36)

23.Qiao Sun,Zhen Li, Zhenggang Lan,ChristophPfisterer, Markus Doerr, Stefan Fischer, Sean C. Smith, Walter Thiel, Isomerization mechanism ofthe HcRed fluorescentprotein chromophore,Phys. Chem. Chem. Phys., 2012,14, 11413-11424.(Corresponding Author, IF = 3.83)

24.Qiao Sun,Zhen Li, Meng Wang, Aijun Du, Sean C. Smith, Methane activation on Fe4cluster: A density functional theory study,Chem. Phys. Lett., 2012,550, 41-46.(Corresponding Author, IF = 2.15)

25.Yingying Ma,Qiao Sun,Zhen Li, Jian-Guo Yu, Sean C. Smith, The mechanism of cyclization in chromophore maturation of green fluorescent protein: a theoretical study theoretical studies of chromophore maturation in the wild-type green fluorescent protein: ONIOM(DFT:MM) investigation of the mechanism of cyclization,J. Phys. Chem. B,2012,116, 1426-1436.(Corresponding Author,IF = 3.61)

26.Hong Zhang,Qiao Sun,Zhen Li, Shinkoh Nanbu, Sean S. Smith,First principle study of proton transfer in the green fluorescent protein (GFP): ab initio PES in a cluster model,Comp. Theor. Chem.,2012,990,185-193.(Corresponding Author,IF = 1.37)

27.Zhen Li,Qiao Sun, Xiangdong Yao, Zhonghua Zhu, Gaoqing Lu, One dimensional semiconductor nanowires for thermoelectrics,J. Mater. Chem.,2012,22,22821-22831.(IF = 6.10)

28.Zhen Li, Peiwei Yi,Qiao Sun,Hao Lei, Hongli Zhao, Zhonghua Zhu, Sean C. Smith, Minbo Lan, Gaoqing (Max) Lu,Ultrasmall water-soluble and biocompatible magnetic iron oxide nanoparticles as positive and negative dual contrast agents,Adv. Funct. Mater.,2012,22, 2387-2393.(IF = 9.77)

29.Zhen Li, Aijun Du,Qiao Sun, Muhsen Aljada, Zhonghua Zhu and Gaoqing (Max) Lu,Field-effect transistors fabricated from diluted magnetic semiconductor colloidal nanowires,Nanoscale, 2012,4, 1263. (IF = 6.23)

30.Weihua Wang, Zhen Li,Qiao Sun, Yunling Li, Jing Wang, Haitao Sun, Siwei Bi,Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study,Corr.Sci,2012,61, 101-110.(IF =3.61)

31.Dong Liu,Zhen Li,Qiao Sun, Xue Kong, Azhen. Zhao, ZongXian Wang,In situ FT-IR study of thiophene adsorbed on the surface of sulfided Mo catalysts,Fuel,2012,92, 77-83. (IF = 3.36)

32.Xinyu Wang, Zhen Li,Qiao Sun,Fengying Bai, Yongheng Xing, Synthesis, structure and spectrum study of copper and silver complexes of pyrazole derivative,Chinese J. Inorg. Chem.,2012,28, 483-490.

33.Aijun Du, Stefano Sanvito, Zhen Li, Dawei Wang, Yan Jiao, Ting Liao,Qiao Sun,Yun Hau Ng, Zhonghua Zhu, Rose Amal and Sean C. SmithHybrid graphene and graphitic carbon nitride nanocomposite: gap opening, electron–hole puddle, interfacial charge transfer, and enhanced visible light response,J. Am. Chem. Soc., 2012,134, 4393.(IF =10.66)

34.Zhen Li, Aijun Du,Qiao Sun,Muhsen Aljada, Lina Cheng, Mark Riley, John Zhu, Zhenxiang Cheng, Xiaolin Wang; Jeremy Hall; Elmars Krausz, Shizhang Qiao, Sean Smith, Max Lu,Cobalt-doped cadmium selenide diluted magnetic semiconductor colloidal nanowires,ChemComm., 2011,47, 11894-11896.(IF = 6.38)

35.Dongming Wei, Zhen Li,Qiao Sun,Yunzhu Cao, Yongheng Xing, Dongxue Ren, Half-sandwich scorpionate nickel complexes with aliphatic dicarboxylic acid co-ligands,Trans. Met.Chem., 2011,36,621-629.

36.Wei-gang Wang;Mao-fa Ge;Qiao Sun,Heterogeneous Uptake of Hydrogen Peroxide on Mineral Oxides,Chin. J. Chem. Phys.2011,24515-520. (IF=0.72)

37.Qiao Sun,Markus Doerr, Zhen Li, Sean C. Smith and Walter Thiel, QM/MM studies of the far-red fluorescent protein HcRed,Phys. Chem. Chem. Phys.,2010,12, 2450-2458.(IF = 3.83)

38.Qiao Sun,Sufan Wang, Hong Zhang, Zhen. Li, Christoph. Pifisterer, Stefan.Fischer, Shinko Nanbu and Sean C Smith, Dynamical relaxation and proton wire energetics: model studies of the green fluorescent protein photocycle,Aust. J. Chem.,2010,63, 363–370.(IF = 1.87)

39.Yingying Ma,Qiao Sun,Hong Zhang, Liang Peng, Jian-Guo Yu and Sean C. Smith, The mechanism of cyclization in chromophore maturation of green fluorescent protein: a theoretical study,J. Phys. Chem. B.,2010,114,9698–9705.(IF = 3.61)

40.Zhen Li, Lina Cheng,Qiao Sun, Zhonghua Zhu, Mark J. Riley, Muhsen Aljada, Zhenxiang Cheng, Xiaolin Wang, Graeme R. Hanson, Shizhang Qiao, Sean C. Smith, and Gao Qing (Max) Lu, Diluted magnetic semiconductor nanowires prepared by the solution-liquid-solid method,Angew.Chem. Int. Ed.,2010,49, 2777-2781.(IF = 13.74, hot article)

41.Zhen Li, Xuedan Ma,Qiao Sun,Zhe Wang, Jian Liu, Zhonghua Zhu, Shi Zhang Qiao, Sean C Smith, Gaoqing (Max) Lu, Alf Mews,Synthesis and Characterization of Colloidal Core-shell Semiconductor Nanowires,Eur.J. Inorg. Chem., 2010,27,4325–4331.(IF = 3.12)

42.Craig A. Bell,Qiao Sun, Hong Zhang, Sean C. Smith, Paul V. Bernhardt, Michael J. Monteiro, Methyl acrylate polymerizations in the presence of a copper/N3S3 macrobicyclic cage in DMSO at 25C°,Polym. Chem.,2010,1,207-212.(IF = 5.23)

43.Sean C. Smith,Qiao Sun,Molecular Modelling: All the way from atomistic structure to function in complex systems,Aust. J. Chem., 2010,63, 343-344.(IF = 1.87)

44.Hong Zhang, Sufan Wang,Qiao Sun, Sean Smith,Kinetic isotope effect for ground state proton transfer in the green fluorescent protein: a quantum-kinetic model,Phys. Chem. Chem. Phys.,2009,11,8422-8424.(IF = 3.83)

45.Lyudmila Moskaleva, Zhao-Xu Chen, Aleksandrov Hristiyan, Amjad Mohammed,Qiao Sun, Notker Roesch, Ethylene conversion to ethylidyne over Pd(111): revisiting the mechanism with first-principles calculations,J. Phys. Chem. C.,2009,113, 2512-2520.(IF = 4.81)

46.Qiao Sun, Eric Kennedy, Bogdan Z. Dlugogorski and John C. Mackie, Theoretical Exploration of the Potential Energy Surface of the HOI/HIO Isomerization Reaction- Effect of H2O,Chem. Phys. Lett.,2007,436,68-74.(IF = 2.13)

47.Qiao Sun, Mohammend Alterawneh, Bogdan Z. Dlugogorski, Eric Kennedy and John C. Mackie, Catalytic Effect of CuO and Other First-Row Transition Metal Oxides (MO) in the Formation of Dioxins: A Theoretical Investigation of the Potential Energy Surface of the Reaction between 2,4,5-Trichlorophenol and CuO,Environ. Sci. Technol.,2007,41, 5708-5715.(IF = 5.23)

48.Zhen Li,Qiao Sun, Gao Mingyuan , Preparation of Water-soluble Magnetite Nanocrystals by Refluxing Ferric Hydrated Salts in 2-Pyrrolidone:Mechanism Leading to Fe3O4,Angew.Chem. Int. Ed.,2005,44, 123-126.(IF = 13.76)

49.Yimin Li,Qiao Sun, Haiyang Li, Maofa Ge, Dianxun Wang, Characterization and Activity of CH3OOH and CH3CH2OOH – A Photoelectron Spectroscopy Study,Chin. J. Chem.,2005,23, 993-996.

50.Qiao Sun,Xiaoqing Zeng, Weigang Wang, Maofa Ge, Dianxun Wang,Daniel Kam Wah Mok,Foo-tim Chau,First Experimental Observation the CH3Se Radical,ChemPhysChem.,2005,6, 2032-2035.( (IF = 3.35)

Honors and Awards:

The Queensland International Fellowship, 2009

The University of Queensland (UQ) Postdoctoral Fellowship, 2008-2010

Excellent Award for Young Chemical Scientists, Institute of Chemistry, 2003

Contact Information：

Professor Qiao Sun

School of Radiation Mediation and Protection, Soochow University，

Suzhou, Jiangsu, 215006, China

Tel: 86-13812649395, Fax: 86-512-65884830

E-mail: sunqiao@suda.edu.cn