Xiao Cheng Zeng

Ameritas University Professor
Willa Cather Emeritus Professor
536 Hamilton Hall
University of Nebraska-Lincoln
Lincoln NE 68588-0304
xzeng1@unl.edu

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2018

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Abnormal phase transition between two-dimensional high-density liquid crystal and low-density crystalline solid phases, Wenbin Li, Longjuan Kong, Baojie Feng, Huixia Fu, Hui Li, Xiao Cheng Zeng, Kehui Wu, and Lan Chen

2017

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Criegee intermediate-hydrogen sulfide chemistry at the air/water interface, Manoj Kumar, Jie Zhong, Joseph S. Francisco, and Xiao Cheng Zeng

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Distinct ice patterns on solid surfaces with various wettabilities, Jie Liu, Chongqin Zhu, Kai Liu, Ying Jiang, Yanlin Song, Joseph S. Francisco, Xiao Cheng Zeng, and Jianjun Wang

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Reply to ‘On the bonding in ligand-protected gold clusters’, Wen Wu Xu, Xiao Cheng Zeng, and Yi Gao

2016

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Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations, Rongxing He, Lei Li, Jie Zhong, Chongqin Zhu, Joseph S. Francisco, and Xiao Cheng Zeng

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Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface, Ross D. Hoehn, Marcelo A. Carignano, Sabre Kais, Chongjing Zhu, Xiao Cheng Zeng, Joseph S. Francisco, and Ivan Gladich

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A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III, Yingying Huang, Chongqin Zhu, Lu Wang, Xiaoxiao Cao, Yan Su, Xue Jiang, Sheng Meng, Jijun Zhao, and Xiao Cheng Zeng

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Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water, Lei Li, Manoj Kumar, Chongqin Zhu, Jie Zhong, Joseph S. Francisco, and Xiao Cheng Zeng

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Tuning the electronic properties of monolayer and bilayer PtSe2 via strain engineering, Pengfei Li, Lei Li, and Xiao Cheng Zeng

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Surprising impact of remote groups on the folding–unfolding and dimer-chain equilibria of bifunctional H-bonding unimers, Rui Liu, Shuang Cheng, Erin S. Baker, Richard D. Smith, Xiao Cheng Zeng, and Bing Gong

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Surprising impact of remote groups on the folding–unfolding and dimer-chain equilibria of bifunctional H-bonding unimers, Rui Liu, Shuang Cheng, Erin S. Baker, Richard D. Smith, Xiao Cheng Zeng, and Rui Liu

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Correction: Surprising impact of remote groups on the folding–unfolding and dimer-chain equilibria of bifunctional H-bonding unimers, Rui Liu, Shuang Chen, Erin S. Baker, Richard D. Smith, Xiao Cheng Zeng, and Bing Gong

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Mechanistic study of pressure and temperature dependent structural changes in reactive formation of silicon carbonate, Bingyan Qu, Dongdong Li, Lei Wang, Jili Wu, Rulong Zhou, Bo Zhang, and Xiao Cheng Zeng

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Unraveling the hidden function of a stabilizer in a precursor in improving hybrid perovskite film morphology for high efficiency solar cells, Zhengguo Xiao, Dong Wang, Qingfeng Dong, Qi Wang, Wei Wei, Jun Dai, Xiwei Zheng, and Jinsong Huang

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Medium-sized Au40(SR)24 and Au52(SR)32 nanoclusters with distinct gold-kernel structures and spectroscopic features, Wen Wu Xu, Yadong Li, Yi Gao, and Xiao Cheng Zeng

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Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters, Wen Wu Xu, Yadong Li, Yi Gao, and Xiao Cheng Zeng

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Unraveling a generic growth pattern in structure evolution of thiolate-protected gold nanoclusters, Wen Wu Xu, Yadong Li, Yi Gao, and Xiao Cheng Zeng

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Xiao Cheng Zeng Bibliography (April 2016), Xiao Cheng Zeng

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Two-dimensional interlocked pentagonal bilayer ice: how do water molecules form a hydrogen bonding network?, Weiduo Zhu, Wen- Hui Zhao, Lu Wang, Di Yin, Min Jia, Jinlong Yang, Xiao Cheng Zeng, and Lan-Feng Yuan

2015

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Titanium Trisulfide Monolayer: Theoretical Prediction of a New Direct-Gap Semiconductor with High and Anisotropic Carrier Mobility, Jun Dai and Xiao Cheng Zeng

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Electronic structures and electronic spectra of all-boron fullerene B40, Rongxing He and Xiao Cheng Zeng

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Extremely strong tubular stacking of aromatic oligoamide macrocycles, Mark A. Kline, Xiaoxi Wei, Ian J. Horner, Rui Liu, Shuang Chen, Si Chen, Ka Yi Yung, Kazuhiro Yamato, Zhonghou Cai, Frank V. Bright, Xiao Cheng Zeng, and Bing Gong

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Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels, Hui Li, Joseph S. Francisco, and Xiao Cheng Zeng

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B27: Appearance of the smallest planar boron cluster containing a hexagonal vacancy, Wei-Li Li, Rhitankar Pal, Zachary A. Piazza, Xiao Cheng Zeng, and Lai-Sheng Wang

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Unraveling structures of protection ligands on gold nanoparticle Au68(SH)32, Wen Wu Xu, Yi Gao, and Xiao Cheng Zeng

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Medium-sized Au40(SR)24 and Au52(SR)32 nanoclusters with distinct gold-kernel structures and spectroscopic features, Wen Wu Xu, Yadong Li, Yi Gao, and Xiao Cheng Zeng

2014

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Designs of fullerene-based frameworks for hydrogen storage, Yi Gao, Xiaojun Wu, and Xiao Cheng Zeng

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MoS2/MX2 heterobilayers: bandgap engineering via tensile strain or external electrical field, Ning Lu, Hongyan Guo, Lei Li, Jun Dai, Lu Wang, Wai-Ning Mei, Xiaojun Wu, and Xiao Cheng Zeng

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van der Waals trilayers and superlattices: modification of electronic structures of MoS2 by intercalation, Ning Lu, Hongyan Guo, Lu Wang, Xiaojun Wu, and Xiao Cheng Zeng

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A photoelectron spectroscopy and ab initio study of the structures and chemical bonding of the B25 − cluster, Zachary A Piazza, Ivan H. Popov, Wei-Li Li, Rhitankar Pal, Xiao Cheng Zeng, Alexander I. Boldyrev, and Lai-Sheng Wang

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Electronic and transport properties of porous graphenes: two-dimensional benzo- and aza-fused Π-conjugated-microporous-polymer sheets and boron–nitrogen co-doped derivatives, Zhao-Di Yang, Wenzhi Wu, and Xiao Cheng Zeng

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Ferroelectric hexagonal and rhombic monolayer ice phases, Wen-Hui Zhao, Jaeil Bai, Lan-Feng Yuan, Jinlong Yang, and Xiao Cheng Zeng

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Spontaneous Formation of One-Dimensional Hydrogen Gas Hydrate in Carbon Nanotubes, Wenhui Zhao, Lu Wang, Jaeil Bai, Joseph S. Francisco, and Xiao Cheng Zeng

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Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate, Rulong Zhou, Bingyan Qu, Jun Dai, and Xiao Cheng Zeng

2013

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Homogeneous connectivity of potential energy network in a solidlike state of water cluster, Takuma Akimoto, Toshihiro Kaneko, Kenji Yasuoka, and Xiao Cheng Zeng

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A vesicle cell under collision with a Janus or homogeneous nanoparticle: translocation dynamics and late-stage morphology, Noriyoshi Arai, Kenji Yasuoka, and Xiao Cheng Zeng

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Intrinsic electronic and transport properties of graphyne sheets and nanoribbons, Wenzhi Wu, Wanlin Guo, and Xiao Cheng Zeng

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Carbon nanotube and boron nitride nanotube hosted C60–V nanopeapods, Guiling Zhang, Rulong Zhou, and Xiao Cheng Zeng

2012

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Polymorphism and polyamorphism in bilayer water confined to slit nanopore under high pressure, Jaeil Bai and Xiao Cheng Zeng

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Investigating the structural evolution of thiolate protected gold clusters from first-principles, Yong Pei and Xiao Cheng Zeng

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ƴ-Selective directed catalytic asymmetric hydroboration of 1,1-disubstituted alkenes, Sean M Smith, Gia L. Hoang, Rhitankar Pal, Mohammad O. Bani Khaled, Liberty S. W. Pelter, Xiao Cheng Zeng, and James M. Takacs

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Long-Range Ordered Carbon Clusters: A Crystalline Material with Amorphous Building Blocks, Lin Wang, Bingbing Liu, Hui Li, Wenge Yang, Yang Ding, Stanislav V. Sinogeikin, Yue Meng, Zhenxian Liu, Xiao Cheng Zeng, and Wendy L. Mao

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Self-assembling subnanometer pores with unusual mass-transport properties, Xibin Zhou, Guande Liu, Kazuhiro Yamato, Yi Shen, Ruixian Cheng, Xiaoxi Wei, Wanli Bai, Yi Gao, Hui Li, Yi Liu, Futao Liu, Daniel M. Czajkowsky, Jingfang Wang, Michael J. Dabney, Zhonghou Cai, Jun Hu, Frank V. Bright, Lan He, Xiao Cheng Zeng, Zhifeng Shao, and Bing Gong

2011

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Structure evolution of gold cluster anions between the planar and cage structures by isoelectronic substitution: Aun (n = 13–15) and MAun (n = 12–14; M = Ag, Cu), Rhitankar Pal, Lei-Ming Wang, Wei Huang, Lai-Sheng Wang, and Xiao Cheng Zeng

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Elastic properties of poly(vinyldene fluoride) (PVDF) crystals: A density functional theory study, Yong Pei and Xiao Cheng Zeng

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Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture, Hai-Xia Zhao, Xiang-Jian Kong, Hui Li, Yi-Chang Jin, La-Sheng Long, Xiao Cheng Zeng, Rong-Bin Huang, and Lan-Sun Zheng

2010

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Guest-free monolayer clathrate and its coexistence with two-dimensional high-density ice, Jaeil Bai, C. Austen Angell, and Xiao Cheng Zeng

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Graphene-Like Bilayer Hexagonal Silicon Polymorph, Jaeil Bai, Hideki Tanaka, and Xiao Cheng Zeng

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Isomer identification and resolution in small gold clusters, Wei Huang, Rhitankar Pal, Lei-Ming Wang, Xiao Cheng Zeng, and Lai-Sheng Wang

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Two-dimensional to three-dimensional structural transition of gold cluster Au 10 during soft landing on TiO 2 surface and its effect on CO oxidation, Hui Li, Yong Pei, and Xiao Cheng Zeng

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Icosahedral B12-containing core–shell structures of B80, Hui Li, Nan Shao, Bo Shang, Lan-Feng Yuan, Jinlong Yang, and Xiao Cheng Zeng

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Observation of earlier two-to-three dimensional structural transition in gold cluster anions by isoelectronic substitution: Maun- (n=8–11; M=Ag,Cu), Lei-Ming Wang, Rhitankar Pal, Wei Huang, Xiao Cheng Zeng, and Lai-Sheng Wang

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Tuning the magnetic and electronic properties of bilayer graphene nanoribbons on Si(001) by bias voltage, Zhuhua Zhang, Changfeng Chen, Xiao Cheng Zeng, and Wanlin Guo

2009

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First-principles study of methane dehydrogenation on a bimetallic Cu/N(111) surface, Wei An, Xiao Cheng Zeng, and C. Heath Turner

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One-Pot Formation of Large Macrocycles with Modifiable Peripheries and Internal Cavities, Joseph S. Ferguson, Kazuhiro Yamato, Rui Liu, Lan He, Xiao Cheng Zeng, and Bing Gong

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CO chemisorption on the surfaces of the golden cages, Wei Huang, Satya S. Bulusu, Rhitankar Pal, Xiao Cheng Zeng, and Lai-Sheng Wang

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Dipole-Induced, Thermally Stable Lamellar Structure by Polar Aromatic Silane, Jinyue Jiang, Ocelio V. Lima, Yong Pei, Xiao Cheng Zeng, Li Tan, and Eric Forsythe

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Coexistence and transition between Cassie and Wenzel state on pillared hydrophobic surface, Takahiro Koishi, Kenji Yasuoka, Shigenori Fujikawa, Toshikazu Ebisuzaki, and Xiao Cheng Zeng

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Magnetic doping of the golden cage cluster M@Au16 (M=Fe,Co,Ni), Lei-Ming Wang, Jaeil Bai, Anne Lechtken, Wei Huang, Detlef Schooss, Manfred Kappes, Xiao Cheng Zeng, and Lai-Sheng Wang

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Tuning the electronic properties of the golden buckyball by endohedral doping: M@Au16 (M=Ag,Zn, In), Lei-Ming Wang, Rhitankar Pal, Wei Huang, Xiao Cheng Zeng, and Lai-Sheng Wang

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Materials design of half-metallic graphene and graphene nanoribbons, Menghao Wu, Xiaojun Wu, Yi Gao, and Xiao Cheng Zeng

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Chemically decorated boron-nitride nanoribbons, Xiao-jun Wu, Men-hao Wu, and Xiao Cheng Zeng

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Reexamine structures and relative stability of medium-sized silicon clusters: Low-lying endohedral fullerene-like clusters Si30-Si38, Soohaeng Yoo, Nan Shao, and Xiao Cheng Zeng

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On the phase diagram of water with density functional theory potentials: The melting temperature of ice /h with the Perdew–Burke–Ernzerhof and Becke–Lee–Yang–Parr functionals, Soohaeng Yoo, Xiao Cheng Zeng, and Sotiris C. Xantheas

2008

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Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24, Wei An, Nan Shao, Satya S. Bulusu, and Xiao Cheng Zeng

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Anisotropy of crystal-melt interfacial free energy of silicon by simulation, Pankaj A. Apte and Xiao Cheng Zeng

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Medium-sized double magic metal clusters: Al@Cu54- and Al@Ag54-, Yi Gao, Nan Shao, and Xiao Cheng Zeng

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Half-metallicity in hybrid BCN nanoribbons, Er-jun Kan, Xiaojun Wu, Zenyu Li, Xiao Cheng Zeng, Jinlong Yang, and J. G. Hou

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Electronic and magnetic properties of endohedrally doped fullerene Mn@C60: A total energy study, Guangping Li, Renat F. Sabirianov, Jing Lu, Xiao Cheng Zeng, and Wai-Ning Mei

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Probing the electronic and structural properties of doped aluminum clusters: MAl12- (M=Li, Cu, and Au), R. Pal, Li-Feng Cui, Satya S. Bulusu, Hua-Jin Zhai, Lai-Sheng Wang, and Xiao Cheng Zeng

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Search for lowest-energy structure of Zintl dianion Si122-, Ge122-, and Sn122-, Nan Shao, Satya S. Bulusu, and Xiao Cheng Zeng

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Structures and relative stability of medium- and large-sized silicon clusters. VI. Fullerene cage motifs for low-lying clusters Si39, Si40, Si50, Si60, Si70, and Si80, Soohaeng Yoo, N. Shao, and Xiao Cheng Zeng

2007

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Ab initio study of hydrogen adsorption on benzenoid linkers in metal–organic framework materials, Yi Gao and Xiao Cheng Zeng

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Thermal stability of nanostructurally stabilized zirconium oxide, Fereydoon Namavar, Gonghua Wang, Chin Li Cheung, Renat F. Sabirianov, Xiao Cheng Zeng, Wai Ning Mei, Jaeil Bai, Joseph R. Brewer, Hani Haider, and Kevin L. Garvin

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Exohedral silicon fullerenes: SiNPtN/2 (20≤N≤60), Yong Pei, Yi Gao, and Xiao Cheng Zeng

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Doping Golden Buckyballs: Cu@Au16- and Cu@Au17- Cluster Anions, Lei-Ming Wang, Satya S. Bulusu, Hua-Jin Zhai, Xiao Cheng Zeng, and Wang

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Structure and thermophysical properties of single-wall Si nanotubes, Xinwei Wang, Zhen Huang, Tao Wang, Yuk Wai Tang, and Xiao Cheng Zeng

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Hydrogen storage in pillared Li-dispersed boron carbide nanotubes, XiaoJun Wu, Yi Gao, and Xiao Cheng Zeng

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Quantum confinement of crystalline silicon nanotubes with nonuniform wall thickness: Implication to modulation doping, Binghai Yan, Xiao Cheng Zeng, Jian Wu, Bing-Lin Gu, and Wenghui Duan

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Molecular dynamics of homogeneous nucleation in the vapor phase of Lennard-Jones. III. Effect of carrier gas pressure, Kenji Yasuoka and Xiao Cheng Zeng

2006

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Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster B20 and B20-, Wei An, Satya S. Bulusu, Yi Gao, and Xiao Cheng Zeng

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Multiwalled ice helixes and ice nanotubes, Jaeil Bai, Jun Wang, and Xiao Cheng Zeng

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Evidence of hollow golden cages, Satya S. Bulusu, Xi Li, Lai-Sheng Wang, and Xiao Cheng Zeng

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Evidence of hollow golden cages: Supplementary Materials and Supporting Information, Satya S. Bulusu, Xi Li, Lai-Sheng Wang, and Xiao Cheng Zeng

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Structures and relative stability of neutral gold clusters: Aun (n=15–19), Satya S. Bulusu and Xiao Cheng Zeng

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Homogeneous nucleation at high supersaturation and heterogeneous nucleation on microscopic wettable particles: A hybrid thermodynamic/density-functional theory, T. V. Bykov and Xiao Cheng Zeng

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Hybrid atomistic-coarse-grained treatment of multiscale processes in heterogeneous materials: A self-consistent-field approach, Dennis J. Diestler, H. Zhou, Ruqiang Feng, and Xiao Cheng Zeng

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Shape-Persistent Macrocyclic Aromatic Tetrasulfonamides: Molecules with Nanosized Cavities and their Nanotubular Assemblies in Solid State, Lan He, Yu An, Lihua Yuan, Wen Feng, Minfeng Li, Dechun Zhang, Kazuhiro Yamato, Chong Zheng, Xiao Cheng Zeng, and Bing Gong

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Structural and Electronic Properties of Gd@C60: All-Electron Relativistic Total-Energy Study, Jing Lu, Wai-Ning Mei, Yi Gao, Xiao Cheng Zeng, Mingwei Jing, Guangping Li, Renat F. Sabirianov, Zhengxiang Gao, Liping You, Jun Xu, Dapeng Yu, and Hengqiang Ye

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Electronic structure and vibrational spectra of C2B10-based clusters and films, Kyungwha Park, M. R. Pederson, L. L. Boyer, Wai-Ning Mei, Renat F. Sabirianov, Xiao Cheng Zeng, Satya S. Bulusu, Seamus Curran, James Dewald, Ellen Day, Shireen Adenwalla, Manuel Diaz, Luis G. Rosa, Snjezana Balaz, and Peter A. Dowben

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Molecular simulations of solid-liquid interfacial tension of silicon, Yuk Wai Tang, Jun Wang, and Xiao Cheng Zeng

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Adsorption of hydrogen molecules on the platinum-doped boron nitride nanotubes, Xiaojun Wu, J.L. Yang, and Xiao Cheng Zeng

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Adsorption of transition-metal atoms on boron nitride nanotube: A density-functional study, Xiaojun Wu and Xiao Cheng Zeng

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Structures and relative stability of medium-sized silicon clusters. V. Low-lying endohedral fullerenelike clusters Si31–Si40 and Si45, Soohaeng Yoo, N. Shao, C. Koehler, T. Fraunhaum, and Xiao Cheng Zeng

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Structures and relative stability of medium-sized silicon clusters. IV. Motif based low-lying clusters Si21–Si30, Soohaeng Yoo and Xiao Cheng Zeng

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Search for global-minimum geometries of medium-sized germanium clusters. II. Motif-based low-lying clusters Ge21–Ge29, S. Yoo and Xiao Cheng Zeng

2005

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Ab initio calculation of bowl, cage, and ring isomers of C20 and C20-, Wei An, Yi Gao, Satya S. Bulusu, and Xiao Cheng Zeng

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Search for global minimum geometries for medium sized germanium clusters: Ge12–Ge20, Satya S. Bulusu, S. Yoo, and Xiao Cheng Zeng

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M4@Si28 (M=Al,Ga) Metal-encapsulated tetrahedral silicon fullerene, Yi Gao and Xiao Cheng Zeng

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Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes, Boggavarapu Kiran, Satya S. Bulusu, Hua-Jin Zhai, Soohaeng Yoo, Xiao Cheng Zeng, and Lai-Sheng Wang