(1) Control of crystallographic orientation in diamond synthesis through laser resonant vibrational excitation of precursor molecules,Scientific Reports,2014,第4作者
(2) Interaction between O2 and Neutral/Charged Aun (n=1-3) Clusters: A Comparative Study between Density-Functional Theory and Coupled Cluster Calculations,Chemical Physics Letters,2014,通讯作者
(3) Interplay between Water and TiO2 Anatase (101) Surface with subsurface Oxygen Vacancy.,Physical Review Letters,2014,通讯作者
(4) Design of Fullerene-Based Frameworks for Hydrogen Storage.,Journal of Materials Chemistry A,2014,第1作者
(5) Ice or Water: Thermal Properties of Monolayer Water Adsorbed on a Substrate.,Journal of Statistical Mechanics: Theory and Experiment ,2013,第2作者
(6) CO Oxidation on TiO2(110) Supported Subnanometer Gold Clusters: Size and Shape Effects.,Journal of the American Chemical Society ,2013,第2作者
(7) Aggregated Gas Molecules: Toxic to Protein,Scientific Reports,2013,通讯作者
(8) Ligand Effects of Thiolate-Protected Au102 Nanoclusters.,Journal of Physical Chemistry C,2013,第1作者
(9) [CTi72+]: Heptacoordinate Carbon Motif,Journal of Physical Chemistry Letters,2012,第1作者
(10) Interlocked Catenane-Like Structure Predicted in Au24(SR)20: Implication to Structural Evolution of Thiolated Gold Clusters from Homoleptic Gold(I) Thiolates to Core-Stacked Nanoparticles.,Journal of the American Chemical Society,2012,第4作者
(11) Silicon-Containging Multidecker Organometallic Complexes and Nanowires: A Density Functional Theory Study,Journal of Physical Chemistry Letters,2012,第3作者
(12) Water-Promoted O2 Dissociation on Small-Sized Anionic Gold Clusters.,ACS Catalysis,2012,第1作者
(13) Edge-decorated Graphene Nanoribbons by Scandium as Hydrogen Storage Media..,Nanoscale,2012,第2作者
(14) Covalent Reinforcement of Hydrogen-Bonded Discs into Stably Folded Helical Structures,Organic Letters,2011,第3作者
(15) Catalytic Activities of Subnanometer Gold Clusters (Au16-Au18, Au20 and Au27-Au35) for CO Oxidation.,ACS Nano,2011,第1作者
(16) Icosahedral Crown Gold Nanocluster Au43Cu12 with High Catalytic Activities,Nano Letters,2010,第1作者
(17) Probing the Structure Evolution of Medium-Sized Gold Clusters: Aun- (n=27 to 35),Journal of the American Chemical Society,2010,第3作者
(18) Patterned Hydrogenation of Graphene: Magnetic Quantum Dot Array,The Journal of Physical Chemistry C,2010,第3作者
(19) Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters,The Journal of Physical Chemistry A,2009,第3作者
(20) Ab Initio Study of Structural and Magnetic Properties of TMn(ferrocene)n+1 (TM = Sc, Ti, V, Mn) Sandwich Clusters and Nanowires (n = infinity),ACS Nano,2009,第3作者
(21) Materials Design of Half Metallic Graphene and Graphene Nanoribbons,Applied Physics Letters,2009,第3作者
(22) Search for Lowest-Energy Nonclassical Fullerene III: C22,The Journal of Physical Chemistry A,2009,第2作者
(23) Detecting Weak Interactions between Au- and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study,Journal of the American Chemical Society,2009,第1作者
(24) Thiolate-Protected Au20(SR)16 Cluster: Prolate Au8 Core with New [Au3(SR)4] Staple Motif,Journal of the American Chemical Society,2009,第2作者
(25) Investigating Active Site of Gold Nanoparticle Au55(PPh3)12Cl6 in Selective Oxidation,ACS Nano,2009,第3作者
(26) Effective CO oxidation on endohedral gold-cage nanoclusters,The Journal of Physical Chemistry C,2008,第1作者
(27) Ab initio study of thiolate-protected Au102 nanocluster,ACS Nano,2008,第1作者
(28) Medium-Sized Double Magic Metal Clusters: Al@Cu54 ̄ and Al@Ag54 ̄,Journal of Chemical Physics,2008,第1作者
(29) Structural Prediction of Thiolate-Protected Au38: A face-Fused Bi-icosahedral Au Core,Journal of the American Chemical Society,2008,第2作者
(30) Ab initio study of hydrogen adsorption on benzenoid linkers in metal-organic framework materials,Journal of Physics: Condensed Matters,2007,第1作者
(31) A Global Search of Highly Stable Gold-Covered Bimetallic Clusters M@Aun (n = 8-17): Endohedral Gold Clusters,Chemphyschem,2006,第1作者
(32) Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity,Journal of the American Chemical Society,2005,第1作者
(33) Au42: An alternative icosahedral golden fullerene cage,Journal of the American Chemical Society,2005,第1作者
(34) M4-Si28 (M=Al, Ga): Metal-encapsulated tetrahedral silicon fullerene,Journal of Chemical Physics,2005,第1作者
(35) Crystalline ice grown on the surface of the ferroelectric polymer poly-vinylidene fluoride and trifluoroethylene ,Journal of the American Chemical Society,2005,第4作者
(36) The valence bond study for benzenoid hydrocarbons of medium to infinite sizes,The Journal of Physical Chemistry A,2002,第1作者
(37) Electronic structure of thiophene oligomer dications: An alternative interpretation from the spin-unrestricted DFT study,The Journal of Physical Chemistry A,2002,第1作者