西安电子科技大学先进材料与纳米科技学院研究生导师简介-唐前林

删除或更新信息，请邮件至freekaoyan#163.com(#换成@)

西安电子科技大学免费考研网/2014-08-17

Profile
Dr.Qian-LinTang(Hefei)Employment:MScSupervisorSpeciality:PhysicalChemistryAffiliation:DepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDDDDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDDDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnologyDepartmentofAppliedChemistry,SchoolofAdvancedMaterialsandNanotechnology
Contacts
Office:RoomIII-222,MainBuilding,NorthCampusAddress:P.O.Box275,XidianUniveristy,Xi'an710071,ChinaE-mail:qltang@xidian.edu.cn
CurriculumVitae
课题组要闻：美国化学会出版的高水平学术刊物JPCC于2013年10月7号以全文形式报道了我课题组最新研究成果"AdsorptionofCO₂atZnO:ASurfaceStructureEffectfromDFT+UCalculations"。敬请赏阅：http://pubs.acs.org/doi/abs/10.1021/jp407970a
http://pubs.acs.org/doi/abs/10.1021/jp407970a
http://pubs.acs.org/doi/abs/10.1021/jp407970ahttp://pubs.acs.org/doi/abs/10.1021/jp407970a

唐前林副教授，男，博士，1975年2月生，四川广汉人。1996-2003年就读于东北师范大学化学学院本科和硕士研究生（理论物理化学方向）；2003-2007年就读于南京大学化学化工学院，获理学博士学位（理论物理化学方向）。随后，在复旦大学化学系(2007-2009年)从事博士后研究（理论物理化学方向）。2009年起任西安电子科技大学副教授、研究生导师。主持有国家自然科学基金，国家重点实验室开放课题等项目。研究兴趣稳定，聚焦于发展基于化学精度的高等量子力学、量子化学计算方法和基于从头算（第一性原理）描述固体材料表面上的物理与化学行为。近年来，在国际刊物J.Chem.Phys.、J.Phys.Chem.、J.Catal.等上发表多篇高质量科研论文，并担任SurfaceScience等国外期刊的审稿人。
ProfessionalPreparation:
2007.9-2009.7DepartmentofChemistry,FudanUniversity,PostDoc(TheoreticalChemistry)2003.9-2007.6SchoolofChemistry&ChemicalEngineering,NanjingUniversity,PhD(TheoreticalChemistry)2000.9-2003.7SchoolofChemistry,NortheastNormalUniversity,MSc(TheoreticalChemistry)1996.9-2000.7SchoolofChemistry,NortheastNormalUniversity,BSc(Chemistry)

UndergraduateandGraduateTeaching:
ComputerApplicationinChemistry(2010-presentforundergraduatestudents)ReadingofChemicalLiterature(2009-presentforgraduatestudents)NumericalCalculationsinChemistry(2012-presentforgraduatestudents)

ResearchInterests:
TheoreticalSurfaceScience&HeterogeneousCatalysisFirst-principlesReactionDynamics
ElectronicStructureCalculations
http://pubs.acs.org/doi/abs/10.1021/jp407970aComputationalMethodsbasedonChemicalPrecision

-----------------------------------------------------------------

MEMBERS
Mygroupfocusesprimarilyonthecatalyticprocessesonsolidsurfaces.Theyoung,butactiveandfruitfulgroupisgrowingrapidly.Thereareafewresearchinterestsavailableforgraduatestudentswithnicechemicalorphysicalbackgrounds.Fordetailedinformation,pleasenothesitatetocontactourleaderviaqltang@xidian.edu.cn.PresentGraduateStudentsBin,Zhang(2012);Luo,Qing-Hong(2011);Zhang,Sheng'En.

-----------------------------------------------------------------

RESEARCH
HardwareComputationalResourcesDawningIntelXeondualquad-corehighperformanceworkstations(Fig.1)LenovoIntelXeondualhexa-corehighperformanceworkstations(Fig.2)DawningIntelXeondualhexa-corehighperformanceworkstations(Fig.1)Pentium(R)Dual-CorehighperformancePCsFig.1.DawningI450(E5504Xeon/6GB/500GBSATA)Fig.2.LenovoT350G7(X5650Xeon/12GB/146GBSAS)SoftwareComputationalResourcesVASPThecommercialsoftwaresubscribedinourgroup(seehttp://cms.mpi.univie.ac.at/vasp/)isapackageforperformingab-initioquantum-mechanicalmoleculardynamics(MD)usingpseudopotentialsandaplanewavebasisset.TheapproachimplementedinVASPisbasedonafinite-temperaturelocal-densityapproximation(withthefreeenergyasvariationalquantity)andanexactevaluationoftheinstantaneouselectronicgroundstateateachMD-stepusingefficientmatrixdiagonalizationschemesandanefficientPulaymixing.ThesetechniquesavoidallproblemsoccurringintheoriginalCar-Parrinellomethodwhichisbasedonthesimultaneousintegrationofelectronicandionicequationsofmotion.TheinteractionbetweenionsandelectronsisdescribedusingultrasoftVanderbiltpseudopotentials(US-PP)ortheprojectoraugmentedwavemethod(PAW).Bothtechniquesallowaconsiderablereductionofthenecessarynumberofplane-wavesperatomfortransitionme[ant]talsandfirstrowelements.ForcesandstresscanbeeasilycalculatedwithVASPandusedtorelaxatomsintotheirinstantaneousgroundstate.SIESTASIESTAisbothamethodanditscomputerprogramimplementation,toperformefficientelectronicstructurecalculationsandabinitiomoleculardynamicssimulationsofmoleculesandsolids.SIESTA'sefficiencystemsfromtheuseofstrictlylocalizedbasissetsandfromtheimplementationoflinear-scalingalgorithmswhichcanbeappliedtosuitablesystems.Averyimportantfeatureofthecodeisthatitsaccuracyandcostcanbetunedinawiderange,fromquickexploratorycalculationstohighlyaccuratesimulationsmatchingthequalityofotherapproaches,suchasplane-waveandall-electronmethods.Thepossibilityoftreatinglargesystemswithsomefirst-principleselectronic-structuremethodshasopenedupnewopportunitiesinmanydisciplines.TheSIESTAprogramisdistributedfreelytoacademicsandhasbecomequitepopular,beingincreasinglyusedbyresearchersingeosciences,biology,andengineering(apartfromthoseinitsnaturalhabitatofmaterialsphysicsandchemistry).Currentlythereareseveralthousandusersallovertheworld,andthepaperdescribingthemethod(J.Phys.Cond.Matt.14,2745(2002))hashadnearly3000citations.IntelFortran90&IntelC/C++PresentResearchTopicsTheoreticalSurfaceScience&HeterogeneousCatalysisFirst-principlesReactionDynamicsElectronicStructureCalculationsComputationalMethodsBasedonChemicalPrecision

-----------------------------------------------------------------

学术论文
我团队属于理论化学、原子分子物理和计算材料方向课题组，科研成果均以论文形式体现。近年来，已在国外发表多篇高质量SCI检索源科研论文，代表性成果在《TheJournalofPhysicalChemistryC》、《TheJournalofChemicalPhysics》、《JournalofCatalysis》等重要期刊上发表。

推荐鉴阅：

[9]Tang,Qian-Lin;Luo,Qing-Hong,"AdsorptionofCO₂atZnO:ASurfaceStructureEffectfromDFT+UCalculations",J.Phys.Chem.C,2013,117,22954-22966(SCI((((SSS-II区；影响因子=4.814).

[8]Tang,Qian-Lin,"H₂SSplittingonCu(110):InsightfromCombinedPeriodicDensityFunctionalTheoryCalculationsandMicrokineticSimulation",Int.J.QuantumChem.,2013,113,1992-2001(SCI-III区；影响因子=1.357).

[7]Tang,Qian-Lin;Zhang,Si-Rui;Liang,Yan-Ping,"InfluenceofStepDefectsontheH2SSplittingonCopperSurfacesfromFirst-PrinciplesMicrokineticModeling",J.Phys.Chem.C,2012,116,20321-20331(SCI-II区；影响因子=4.805).

[6]Tang,Qian-Lin;Liu,Zhi-Pan,"IdentificationoftheActiveCuPhaseintheWater-GasShiftReactionoverCu/ZrO2fromFirstPrinciples",J.Phys.Chem.C,2010,114,8423-8430(SCI-II区；影响因子=4.805).

[5]Tang,Qian-Lin;Hong,Qi-Jun;Liu,Zhi-Pan,"CO2FixationintoMethanolatCu/ZrO2InterfacefromFirstPrinciplesKineticMonteCarlo",J.Catal.,2009,263,114-122(SCI-II区；影响因子=6.002).

[4]Tang,Qian-Lin;Chen,Zhao-Xu;He,Xiang,"ATheoreticalStudyoftheWaterGasShiftReactionMechanismonCu(111)ModelSystem",Surf.Sci.,2009,603,2138-144(SCI-III区；影响因子=1.994).

[3]Tang,Qian-Lin;Chen,Zhao-Xu,"InfluenceofAggregation,Defects,andContaminantOxygenonWaterDissociationatCu(110)Surface:ATheoreticalStudy",J.Chem.Phys.,2007,127,104707(SCI-II区；影响因子=3.333).

[2]Tang,Qian-Lin;Chen,Zhao-Xu,"DensityFunctionalSlabModelStudiesofWaterAdsorptiononFlatandSteppedCuSurfaces",Surf.Sci.,2007,601,954-964(SCI-III区；影响因子=1.994).

[1]Tang,Qian-Lin;Huang,Zong-Hao.;Meng,Su-Ci,"AbinitioandDFTStudyoftheCharging-dischargingMechanismofLithiumIntercalatedGraphite",ActaChim.Sin.,2003,61,1582-1586(SCI-IV区；影响因子=0.533).

-----------------------------------------------------------------

本科与研究生电子课件
**
2013研究生教学
WebofScience:
/qltang/files/20131008_183358.rar
/qltang/files/20131008_183409.rar

2013本科教学
2013年最后一次纸质版作业答案：
/qltang/files/20131102_113625.doc

-----------------------------------------------------------------

研究生招生
欢迎对物理化学、分子反应动力学、数学物理方法、原子分子物理、凝聚态物理、纳米材料分子设计、计算材料与物理、功能材料特性模拟、理论化学、计算化学、量子化学、高精度量子化学计算方法、第一性原理与从头算、表面化学、复相催化、工业新型催化剂筛选感兴趣的广大同学报考我的研究生。注：每年计划招2～3名学术型硕士研究生。