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刘英北京科技大学材料物理与化学专业博士,河北师范大学凝聚态物理专业博士生导师、科技部新材料模拟设计实验室客座研究员。 科研课题: 2014.1-2016.12 主持国家自然科学基金项目“星际含碳分子的微波谱和反应途径预测”(U1331116) 2013.1-2016.12 主持国家自然科学基金项目“硼/碳/硅基复合材料的量子调控与储氢机理探索”(11274089) 2011.1-2015.12 国家973项目“基于集成计算的材料设计基础科学问题”中“复杂材料原子间相互作用势库的创新与拓展”课题(2011CB606401;参研) 2009.1-2011.12 主持国家自然科学基金项目“金、硼和过渡金属-硅纳米管的结构与性能预测”(10874039) 2006.1-2006.12 主持国家自然科学基金项目“纳米管及其衍生物的分子力场及应用”(10574036) 2006.1-2010.6: 国家重点基础研究发展规划(973)项目“面向性能的材料集成设计的科学基础问题”中“材料原子势库创新服务系统”课题的研究(2006CB605101;参研) 2000.7-2005.9: 国家重点基础研究发展规划(973)项目“材料计算设计与性能预测基础问题”中的“材料中原子相互作用势研究”课题的研究(G2000067101;参研) 1998.9-2000.12: 国家高新技术发展规划(863)新材料领域“材料微观结构设计与性能预测”专题中的“原子间相互作用势库及其对复杂材料的应用”课题的研究工作(863-715-010-0021;参研) 研究亮点和获奖: [13] 预言了“Volleyballene(排球烯)”的稳定存在(Nanoscale,8(2016)11441),研究结果被科技新闻广泛报道。 [12] 关于双环的硼纳米管的结构、电子结构和的储氢特性的预言,作为ChemPhysChem的FrontCover论文发表(ChemPhysChem,15(16)(2014)3453-3459) [11] 基于冰的氢键网络与sp3杂化碳网络的拓扑相似性,提议了一系列新的碳结构,命名为“ICEcarbons”(J.Phys.Chem.C,118(47)(2014)27502–27508)。 [10] 关于Au42纳米管的预言,Nature出版集团的NPGAsiaMaterials的ResearchHighlight栏目以“Nanostructures:Hollowgoldnanotubes”为题进行了评述,评论指出“Ahollowtubemadefrom42atomsofgoldhasbeenaddedtochemists'listofcurioustargetmoleculestosynthesize.”,“Scientistshavepreviouslymadehollowgoldclusterscontainingaround20atoms,butthisisthefirsttimethatsuchrelativelylargehollowgoldnanotubeshavebeentheoreticallypredicted.”(J.Chem.Phys.129(2008)134705) [9] 关于硼纳米管的结构及传输特性的预言作为ChemPhysChem的FrontCover论文发表,编辑在扉页评论中指出“Itindicatesthepossibility,inthedesignofnanodevices,tocontroltheelectronictransportpropertiesofboronnanotubesthroughtheirdiameters.”(ChemPhysChem,10(17)(2009)3119) [8] 理论预言了一种磁性类碳硅富勒烯(Eu@Si20)和磁性硅纳米管(Eu2@Si30)的稳定存在(PhysChemChemPhys,12(2010)11428-11431;J.Phys.Chem.C,117(20)(2013)10764–10769)。 [7] 与西南大学和清华大学研究人员合作,研究了点手性缺失下的手性风车团簇(Small,8(13)(2012)2078-2082)。 [6] 基于Kelvin问题的研究,提议了一系列新的碳结构,命名为“Kelvincarbons”(J.Chem.Phys.138(2013)164703)。 [5] 培养的博士生马庆敏的博士学位论文《磁性过渡金属及其碳混合团簇的DFT研究》(2007年博士)获2009年河北省优秀博士学位论文。 [4] 培养的博士生王静的博士学位论文《金、硼纳米管和内包金属硅富勒烯的结构与性能预测》(2009年博士)获2011年河北省优秀博士学位论文。 [3] 主持项目“低维纳米体系奇异结构和物性的理论预测”获2011年河北省自然科学奖三等奖(2011ZR3005-01) [2] 参研项目“有机共轭聚合物的物理特性研究”2006年获河北省自然科学二等奖(No.2006ZR2001-04) [1] 参研项目“稀土-过渡金属间化合物磁学性质研究”1999年获河北省科学技术进步二等奖(No.992016-6) 研究方向: “低维系统结构和特性的第一原理计算”和“材料物理特性的计算机设计与模拟”研究。目前主要的研究课题包括: 1)硼/碳/硅基材料新的物相及其特性; 2)过渡金属和第IV族元素混合团簇的结构和特性探索; 3)星际分子结构和光谱预测。 教学工作: 先后讲授热力学统计物理、理论力学、近代物理实验、普通物理学、高等数学、理论物理概论(理力、电动、热统、量子)和研究生的计算物理学等课程。 主持“河北省高等学校二级学院综合改革试点”项目,2013.1-2016.5 主持学校精品课程建设项目《热力学统计物理》课程建设,2008.7-2011.6; 主持学校教学团队建设项目“理论物理教学研究群体”建设,2008.7-2010.6.

研究领域

研究方向: “低维系统结构和特性的第一原理计算”和“材料物理特性的计算机设计与模拟”研究。目前主要的研究课题包括: 1)硼/碳/硅基材料新的物相及其特性; 2)过渡金属和第IV族元素混合团簇的结构和特性探索; 3)星际分子结构和光谱预测。

近期论文

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[23] Hui-YanZhao,JingWang,Ling-YanAi,andYingLiu*, Cu20Si12:Ahollowcageconstitutedofacopperdodecahedronandasiliconicosahedron, JPhysChemA,120(2016)6303;DOI:10.1021/acs.jpca.6b05258 [22] JingWangandYingLiu*, NewVolleyballenes:Y20C60andLa20C60, ScientificReports,6(2016)30875;DOI:10.1038/srep30875 [21] JingWang,Hong-ManMaandYingLiu*, Sc20C60:avolleyballene Nanoscale,8(2016)11441-11444,DOI:10.1039/C5NR07784B http://pubs.rsc.org/en/Content/ArticleLanding/2016/NR/C5NR07784B ThismanuscriptwassubmittedtoarXiv(arxiv.org/abs/1502.03507)on10February,2015.Soonafter,“MITTechnologyReview”reviewedthisworkentitled“ForgetBuckyballs,HereComesVolleyballene”inthe“view”columnonFebruary18.[A1]Then,“PhysicsToday”introducedthisworkentitled“Buckyballvariantresemblesavolleyball”inthe“NewsPicks”columnofthe“DailyEdition”onFebruary19.[A2]“NewScientist”(Volume225,Issue3010,p19)reportsthisworkentitled“Buckyballsplayadifferentsport”(inprint)[A3],and“Volleyballeneputsanewspinonbuckyballs”(online)inthe“News(InBrief)”column[A4].OnMarch04,theFrenchscientificmagazinecalled“Sciences&Avenir”introducedthisworkentitled“Levolleyballene,nouvelhommagedeschimistesauxsportifs”[A5]andpublishaviewabouttheresearchonthevolleyballeneinitsnextissue.The“Volleyballene”asanewwordappearatWorldWideWords(Issue910,7March2015).[A6]"ChemistryWorld"introducedthisworkentitled“Volleyballenenetsaplaceinthebuckyballfamily”inthe“News”columnon18February2016.[A7]etc. [A1]http://www.technologyreview.com/view/535281/forget-buckyballs-here-comes-volleyballene/ [A2]http://scitation.aip.org/content/aip/magazine/physicstoday/news/news-picks/buckyball-variant-resembles-a-volleyball-a-news-pick-post;jsessionid=fcgud8lsdqfc.x-aip-live-02 [A3]http://www.sciencedirect.com/science/article/pii/S0262407915603918#rpctoken=1845261806 [A4]http://www.newscientist.com/article/mg22530101.700-volleyballene-puts-a-new-spin-on-buckyballs.html#.VPGQ7-FRV-V [A5]http://www.sciencesetavenir.fr/fondamental/20150304.OBS3809/le-volleyballene-nouvel-hommage-des-chimistes-aux-sportifs.html [A6]http://www.worldwidewords.org/weirdwords/ww-vol3.htm [A7]http://www.rsc.org/chemistryworld/2016/02/volleyballene-buckyball-fullerene-nano-cluster [20] JingWang,Zhi-JingWei,Hui-YanZhao&YingLiu*, HollowLi20B60Cage:StabilityandHydrogenStorage, ScientificReports,6(2016)24500,doi:10.1038/srep24500 http://www.nature.com/articles/srep24500 [19] JingWang*,YingLiu*, MagneticSiliconFullerenes:ExperimentalExplorationandTheoreticalInsight(REVIEWPAPER) JournalofClusterScience,27(3)(2016)861;DOI:10.1007/s10876-015-0959-6 http://link.springer.com/article/10.1007%2Fs10876-015-0959-6 [18] HongZhang,JingWang,Zhi-XueTianandYingLiu*, Lithiumboridesheetandnanotubes:structureandhydrogenstorage, Phys.Chem.Chem.Phys.,17(2015)13821-13828;DOI:10.1039/C4CP06086E *Theworkisfeaturedasthejournalinsidefrontcover. http://pubs.rsc.org/en/content/articlelanding/2015/cp/c5cp90086g [17] JingWang,Hui-YanZhao,andYingLiu* Boron-Double-RingSheet,Fullerene,andNanotubes:PotentialHydrogenStorageMaterials, ChemPhysChem,15(16)(2014)3453-3459, *Theworkisfeaturedasthejournalfrontcover. http://onlinelibrary.wiley.com/doi/10.1002/cphc.v15.16/issuetoc [16] Hui-YanZhao,JingWang,Xiu-JieSu,Dong-BoZhang,andYingLiu, IceCarbons, J.Phys.Chem.C,118(47)(2014)27502–27508;DOI:10.1021/jp5080048 http://pubs.acs.org/doi/abs/10.1021/jp5080048 [15] Hui-YanZhao,JingWang,Qing-MinMa,andYingLiu†, sp3-bondedsiliconallotropesbasedontheKelvinproblem, Phys.Chem.Chem.Phys.,15(2013)17619; DOI:10.1039/C3CP50946J http://pubs.rsc.org/en/content/articlelanding/2013/cp/c3cp50946 [14] JingLi;JingWang;Hui-YanZhao;YingLiu†, MagneticSiliconNanotube:RoleofEncapsulatedEuropiumAtoms, J.Phys.Chem.C,117(20)(2013)10764–10769; DOI:10.1021/jp401090p http://pubs.acs.org/doi/abs/10.1021/jp401090p [13] YangLiu,JuntaoSong*,YuxianLi,YingLiu,andQing-fengSun, Controllablevalleypolarizationusinggraphenemultipletopologicallinedefects, Phys.Rev.B87(2013)195445 DOI:10.1103/PhysRevB.87.195445 http://prb.aps.org/abstract/PRB/v87/i19/e195445 [12] Hui-YanZhao,JingWang,Qing-MinMa,andYingLiu†, FromKelvinproblemtoKelvincarbons, J.Chem.Phys.138(2013)164703 DOI:10.1063/1.4802002;TimesCited:1(fromWebofScience,13/6/2014) http://dx.doi.org/10.1063/1.4802002 [11] JingWang,Shu-ShenLi,YingLiu†,andJingboLi*, PassivationofCuIQuantumDots, J.Phys.Chem.C,116(39)(2012)21039-21045; DOI:10.1021/jp3048778;TimesCited:1(fromWebofScience,13/6/2014) http://pubs.acs.org/doi/abs/10.1021/jp3048778 [10] JingWang,HuaNing,Qing-MinMa,YingLiu†,andYou-ChengLi Au42:Apossibleground-statenoblemetallicnanotube J.Chem.Phys.129(2008)134705; DOI:10.1063/1.2987715;TimesCited:10(fromWebofScience,13/6/2014) http://scitation.aip.org/content/aip/journal/jcp/129/13/10.1063/1.2987715 *TheworkwasfeaturedasaresearchhighlightbyNatureAsiaMaterials. “Nanostructures:Hollowgoldnanotubes”, http://www.nature.com/am/journal/2008/200812/full/am2008192a.html [9] JingWang,YingLiu†,You-ChengLi, ANewClassofBoronNanotube, ChemPhysChem,10(17)(2009)3119; DOI:10.1002/cphc.200900632;TimesCited:8(fromWebofScience,13/6/2014) *Theworkisfeaturedasthejournalfrontcover. (http://onlinelibrary.wiley.com/doi/10.1002/cphc.200990071/abstract) [8] JingWang,YingLiu†,andYou-ChengLi, MagneticSiliconFullerene, PhysChemChemPhys,12(2010)11428-11431; DOI:10.1039/b923865d;TimesCited:11(fromWebofScience,13/6/2014) http://pubs.rsc.org/en/Content/ArticleLanding/2010/CP/b923865d [7] JingWang,Qing-MinMa,ZunXie,YingLiu†,andYou-ChengLi, FromSinNitoNi@Sin:Aninvestigationofconfigurationsandelectronicstructure, Phys.Rev.B76(3)(2007)035406 DOI:10.1103/PhysRevB.76.035406;TimesCited:32(fromWebofScience,13/6/2014) http://journals.aps.org/prb/abstract/10.1103/PhysRevB.76.035406 [6] MengLan,Zu-HongXiong,Guo-QingLi,Ting-NaShao,Jia-LeXie,Xiu-FanYang,Jun-ZhongWang*,andYingLiu†, Strain-drivenformationofrubrenecrystallinefilmsonBi(001), Phys.Rev.B83(2011)195322; DOI:10.1103/PhysRevB.83.195322;TimesCited:4(fromWebofScience,13/6/2014) http://journals.aps.org/prb/abstract/10.1103/PhysRevB.83.195322 [5] KaiSun,Ting-NaShao,Jia-LeXie,MengLan,Hong-KuanYuan,Zu-HongXiong,Jun-ZhongWang*,YingLiu,Qi-KunXue*, ChiralPinwheelClustersLackingLocalPointChirality, Small,8(13)(2012)2078-2082. DOI:10.1002/smll.201200168;TimesCited:4(fromWebofScience,13/6/2014) http://onlinelibrary.wiley.com/doi/10.1002/smll.201200168/abstract [4] MaQing-Min,XieZun,WangJing,LiuYing†,LiYou-Cheng, StructuresandmagneticmomentsofFe-Cclusters, Phys.Rev.B76(2007)035412 DOI:10.1103/PhysRevB.76.035412;TimesCited:17(fromWebofScience,26/4/2013) http://journals.aps.org/prb/abstract/10.1103/PhysRevB.76.035412 [3] MaQM,XieZ,WangJ,LiuYing†,LiYC, Structures,bindingenergiesandmagneticmomentsofsmallironclusters:Astudybasedonall-electronDFT. SolidStateComm.,142(2007)114-119. DOI:10.1016/j.ssc.2006.12.023;TimesCited:39(fromWebofScience,13/6/2014) http://www.sciencedirect.com/science/article/pii/S0038109806010933 [2] MaQing-min,XieZun,WangJing,LiuYing†,andLiYou-cheng, Structures,stabilitiesandmagneticpropertiesofsmallCoclusters. Phys.Lett.A,358(2006)289-296. DOI:10.1016/j.physleta.2006.05.033;TimesCited:51(fromWebofScience,13/6/2014) http://www.sciencedirect.com/science/article/pii/S037596010600764X [1] XieZ,MaQM,LiuY†,LiYC., First-principlesstudyofthestabilityandJahn-Tellerdistortionofnickelclusters. Phys.Lett.A,342(2005)459-467. DOI:10.1016/j.physleta.2005.05.067;TimesCited:42(fromWebofScience,13/6/2014) http://www.sciencedirect.com/science/article/pii/S0375960105007875 发表论文(*Correspondingauthor): [59] Zhi-JingWei,Hui-YanZhao,JingWang,*andYingLiu, WideBandGapCarbonAllotropes:InspiredbyZeolite-nets, J.Appl.Phys.,2016,Accepted. [58] Hui-YanZhao,Hong-ManMa,JingWang,YingLiu*, Eu@Sc20C60:MagneticVolleyballene, ChinesePhysicsLetters,33(2016)108105. [57] Hong-ManMa,JingWang,Hui-YanZhao,Dong-BoZhang,YingLiu*, StructuralPredictionforScandiumCarbideMonolayerSheet, ChemicalPhysicsLetters,660(2016)238. [56] Hui-YanZhao,JingWang,Ling-YanAi,andYingLiu*, Cu20Si12:Ahollowcageconstitutedofacopperdodecahedronandasiliconicosahedron, JPhysChemA,120(2016)6303. [55] JingWangandYingLiu*, NewVolleyballenes:Y20C60andLa20C60, ScientificReports,6(2016)30875 [54] JingWang,Hong-ManMaandYingLiu*, Sc20C60:avolleyballene Nanoscale,8(2016)11441-11444,DOI:10.1039/C5NR07784B http://pubs.rsc.org/en/Content/ArticleLanding/2016/NR/C5NR07784B ThismanuscriptwassubmittedtoarXiv(arxiv.org/abs/1502.03507)on10February,2015.Soonafter,“MITTechnologyReview”reviewedthisworkentitled“ForgetBuckyballs,HereComesVolleyballene”inthe“view”columnonFebruary18.[A1]Then,“PhysicsToday”introducedthisworkentitled“Buckyballvariantresemblesavolleyball”inthe“NewsPicks”columnofthe“DailyEdition”onFebruary19.[A2]“NewScientist”(Volume225,Issue3010,p19)reportsthisworkentitled“Buckyballsplayadifferentsport”(inprint)[A3],and“Volleyballeneputsanewspinonbuckyballs”(online)inthe“News(InBrief)”column[A4].OnMarch04,theFrenchscientificmagazinecalled“Sciences&Avenir”introducedthisworkentitled“Levolleyballene,nouvelhommagedeschimistesauxsportifs”[A5]andpublishaviewabouttheresearchonthevolleyballeneinitsnextissue.The“Volleyballene”asanewwordappearatWorldWideWords(Issue910,7March2015).[A6]"ChemistryWorld"introducedthisworkentitled“Volleyballenenetsaplaceinthebuckyballfamily”inthe“News”columnon18February2016.[A7]etc. [A1]http://www.technologyreview.com/view/535281/forget-buckyballs-here-comes-volleyballene/ [A2]http://scitation.aip.org/content/aip/magazine/physicstoday/news/news-picks/buckyball-variant-resembles-a-volleyball-a-news-pick-post;jsessionid=fcgud8lsdqfc.x-aip-live-02 [A3]http://www.sciencedirect.com/science/article/pii/S0262407915603918#rpctoken=1845261806 [A4]http://www.newscientist.com/article/mg22530101.700-volleyballene-puts-a-new-spin-on-buckyballs.html#.VPGQ7-FRV-V [A5]http://www.sciencesetavenir.fr/fondamental/20150304.OBS3809/le-volleyballene-nouvel-hommage-des-chimistes-aux-sportifs.html [A6]http://www.worldwidewords.org/weirdwords/ww-vol3.htm [A7]http://www.rsc.org/chemistryworld/2016/02/volleyballene-buckyball-fullerene-nano-cluster [53] JingWang,Zhi-JingWei,Hui-YanZhao&YingLiu*, HollowLi20B60Cage:StabilityandHydrogenStorage, ScientificReports,6(2016)24500,doi:10.1038/srep24500 http://www.nature.com/articles/srep24500 [52] JingWang*,YingLiu*, MagneticSiliconFullerenes:ExperimentalExplorationandTheoreticalInsight(REVIEWPAPER) JournalofClusterScience,27(3)(2016)861;DOI:10.1007/s10876-015-0959-6 http://link.springer.com/article/10.1007%2Fs10876-015-0959-6 [51] Sheng-LiQin*,PeterSchilke,JingwenWu,TieLiu,YuefangWu,ÁlvaroSánchez-Monge,andYingLiu*, SMAobservationsoftheW3(OH)complex:DynamicaldifferentiationbetweenW3(H2O)andW3(OH), MNRAS,456(3)(March01,2016)2681-2691.DOI:10.1093/mnras/stv2801 http://mnras.oxfordjournals.org/content/456/3/2681.abstract [50] NaLiu,Hui-YanZhao,Li-JiaZheng,Sheng-LiQin,YingLiu*, PredictionofstructuresandinfraredspectraofthecandidatecircumstellarmoleculesSi_{n}O_{m}, ChemicalPhysicsLetters,644(16)(2016)219-224;DOI:10.1016/j.cplett.2015.11.046. http://www.sciencedirect.com/science/article/pii/S000926141500915X [49] JialeiRong,Sheng-LiQin,LuisA.Zapata,YuefangWu,TieLiu,ChengpengZhang,YapingPeng,LiZhang,YingLiu, ComplexmoleculesinW51Northregion, MonthlyNoticesoftheRoyalAstronomicalSociety(MNRAS),455(2)(2015)1428-1437;DOI:10.1093/mnras/stv2406. http://mnras.oxfordjournals.org/content/455/2/1428.abstract [48] NaLiu,ZhaoLiu,YingLiu*,ShengliQin, AccurateabinitiopotentialenergysurfaceandspectralcalculationfortheHOCO++H2Oreaction, JournalofMolecularStructure,1100(2015)348–353;DOI:10.1016/j.molstruc.2015.07.037 http://www.sciencedirect.com/science/article/pii/S0022286015301484 [47] Hai-XiaCheng,Yao-WenHu,Xiao-XuWang,Guo-HuaZhang,Zhi-WeiAn,Zhen-FengZhang,BiaoZhang,TaoZhou,PingQian*,YingLiu,Nan-XianChen, Thephasestability,magneticandvibrationalpropertiesofA2Ni21B6(A=Th,U)andCe3Pd20Si6 ComputerPhysicsCommunications,193(2015)72-77;DOI:10.1016/j.cpc.2015.04.001(3.11ImpactFactor) http://www.sciencedirect.com/science/article/pii/S001046551500123X [46] GuoliZhou,PanLi,ZhixueTian*,andYingLiu AvanderWaalsDensityFunctionalInvestigationontheImprovedAdsorptionPropertiesofNOontheRhn/MgO(100)Interface, 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