近期论文
查看导师新发文章
(温馨提示:请注意重名现象,建议点开原文通过作者单位确认)
[1]Y.L.LiandI.Dabo,“Electroniclevelsandelectricalresponseofperiodicmolecularstructuresfromplane-waveorbital-dependentcalculations”,Phys.Rev.B,84,155127(2011).
[2].Y.L.Li,K.L.Yao,Q.H.Lu,Z.L.Liu,D.Xi,X.P.Luo,Q.Ning,“Atomic,electronicandmagneticstructureoftheAu(100)/Fe3O4(100)interface:Densityfunctionaltheorystudy”,Phys.Rev.B,75,165314(2007).
[3].Y.L.Li,K.L.Yao,Z.L.LiuandG.Y.Gao,“First-principlesstudyofthecomposition,structure,andstabilityoftheFeO(111)surface”,Phys.Rev.B,72,155446(2005).
[4]Yan-LiLi,Dian-NaZhang,Shao-BoQu,MingYangandYuan-PingFeng,“Theeffectofoxygenvacanciesontheelectronicstructures,magneticpropertiesandthestabitilyofSrTiO3(001)surface”,SurfaceScience,641,37(2015).
[5].Y.L.Li,“First-principlesstudyonthestabilityandtheelectronicstructureoflow-indexCdTe/CdSeinterfaces”,SolidStateCommunications.155,73(2013).
[6]Y.L.Li,Z.FanandJ.C.Zheng,“EnhancedthermoelectricperformanceingraphiticZnO(0001)nanofilms”,J.Appl.Phys.113,083705(2013).
[7].Y.L.Li,K.L.YaoandZ.L.Liu,“First-principlesstudyontheelectronicstructureandmagneticpropertiesofmetallicantiferromagnetC7H3S2N2”,JournalofMagnetismandMagneticMaterials,312,L1-L4(2007).
[8].Y.L.Li,K.L.YaoandZ.L.Liu,“Structure,stabilityandmagneticpropertiesoftheFe3O4(110)surface:densityfunctionaltheorystudy”,SurfaceScience,601,876-882(2007).
[9].Y.L.Li,K.L.YaoandZ.L.Liu,“Spindistributionandelectronicstructureoftheferromagnetichalf-metal[Mn(bipy)(N3)2]:abinitiostudy”,PhysicaB:CondensedMatter,395,28(2007).
[10]Y.L.LiandD.N.Zhang,“First-principlesstudyonthemagnetic,half-metalandthermoelectrictransportpropertiesofinorganic-organichybridcompounds[C4N2H12][FeII4(HPO3)2(C2O4)3]”,Commun.Theor.Phys.60,233-239(2013).
[11]Tai-GangLiu,Wen-QingZhang,Yan-LiLi*,“First-principlesstudyonthestructure,electronicandmagneticpropertiesofHoSin(n=1–12,20)clusters”,Front.Phys.9(2),210(2014).
[12]Dan-NaZhang,LiZhao,Jia-FuWang,Yan-LiLi*,“ElectronicstructuresandthestabitilyofMgOsurface:density-functionalstudy”,SurfaceReviewandLetters,22(3),1550037(2015).
[13]Jia-NingLi,San-LueHu,Hao-YuDong,Xiao-YingXu,Jia-FuWang,AngLi,Qing-GuoWangandYan-LiLi,*,“Thetuningeffectoftheelectricfieldonthephysicalpropertiesofsometypicalwurtzitesemiconductors”,Mod.Phys.Lett.B,31,1750310(2017).
[14]San-LueHu,LiZhaoandYan-LiLi*,“GraphiticNanofilmsofZinc-BlendeMaterials:AbInitioCalculations”,Mater.Res.Express4,125018(2017).
[15]J.K.Wang,Y.J.Ke,Q.X.Xie,Y.L.LiandJ.F.Wang,“ElectricfieldmanipulationofmultiplenonequivalentDiracconesintheelectronicstructuresofhexagonalCrB4sheet”,Chin.Phys.B27,097304(2018).
[16]C.P.Chen,J.P.WuandY.L.Li,“TheCalculatedMagneticandOpticalPropertiesof(Mn,N)Co-dopedZnS”,RussianJournalofPhysicalChemistryA,88(7),1215(2014).
[17]I.Dabo,A.Ferretti,C-H.Park,N.Poilvert,Y.L.Li,M.CococcioniandN.Marzari,“Donorandacceptorlevelsoforganicphotovoltaiccompoundsfromfirstprinciples”,Phys.Chem.Chem.Phys.15,685(2013).
[18]K.L.Yao,Y.L.LiandZ.L.Liu,“First-principlesstudyontheelectronicstructureandtheferromagneticpropertiesoftheorganic-inorganichybridcompoundCr[(H3N-(CH2)2-PO3)(Cl)(H2O)]”,JournalofMagnetismandMagneticMaterials301,112(2006).
[19]K.L.Yao,Y.L.Li,Z.L.LiuandS.H.Qu,“TheelectronicstructureandtheferromagneticpropertiesofFe[CH3PO3].H2O”,PhysicaB:PhysicsofCondensedMatter369,123(2005).
[20]I.Dabo,É.Cances,Y.L.Li,andN.Marzari,“First-principlessimulationofelectrochemicalsystemsatfixedappliedvoltage:vibrationalstarkeffectforCOonplatinumelectrodes”,(submittedtoPRL).
[21]I.Dabo,Y.L.Li,N.BonnetandN.Marzari,“Abinitioelectrochemicalpropertiesofelectrodesurfaces”,FuelCellScience:Theory,Fundamentals,andBiocatalysis,Wiley,2010.(著作)
[22]I.Dabo,A.Ferretti,N.Poilvert,Y.L.Li,N.MarzariandM.Cococcioni,“Koopmans’conditionfordensity-functionaltheory”,Phys.Rev.B82,115121(2010).
[23]I.Dabo,É.Cances,Y.L.Li,andN.Marzari,“First-principleselectrochemistry”,(conferencepaper)-14thinternationalworkshoponcomputationalphysicsandmaterialsscience:totalenergyandforcemethods,8-10January2009,Trieste,Italy.(会议)
[24]YaoK.L.,GaoG.Y.,LiuZ.L.,Zhu,L.,andY.L.Li.,“Half-metallicferromagneticsemiconductorsofV-andCr-dopedCdTestudiedfromfirst-principlespseudopotentialcalculations”,PhysicaB:PhysicsofCondensedMatter366,62(2005).
[25]G.Y.Gao,K.L.Yao,Z.L.Liu,Y.L.Li,Y.C.Li,Q.M.Liu,“Abinitiopseudopotentialstudiesofthepressuredependencesofstructural,electronicandopticalpropertiesforGaN”,SolidStateCommunications,138,494,(2006).
[26]G.Y.Gao,K.L.Yao,Z.L.Liu,andY.L.Li,“Half-metallicferromagnetismofCr-dopedrutileTiO2:Afirst-principlespseudopotentialstudy”,PhysicaB:PhysicsofCondensedMatter,382,14,(2006).
[27]K.L.Yao,X.L.Li,Z.L.Liu,Y.L.Li,andG.Y.Gao,“First-principlesstudyonthemetallicantiferromagnetCo[PhPO3].H2O”,JournalofMagnetismandMagneticMaterials,312,16(2007).