Publications from the Department of Physics, Virginia Commonwealth University.

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Submissions from 2010

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Structures of neutral and anionic Au16 clusters revisited, Gang Chen, Qian Wang, Qiang Sun, Yoshiyuki Kawazoe, and Puru Jena

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The applicability of three-dimensional aromaticity in BiSnn- Zintl analogues, Penee A. Clayborne, Ujjwal Gupta, Arthur C. Reber, Joshua J. Melko, Shiv N. Khanna, and A. W. Castleman Jr.

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Magnetism in ZnO nanowire with Fe/Co codoping: First-principles density functional calculations, S. Ghosh, Q. Wang, G. P. Das, and Puru Jena

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Electronic structure and properties of isoelectronic magic clusters: Al13X (X=H,Au,Li,Na,K,Rb,Cs), Yeon Jae Ko, Anisha Shakya, Haopeng Wang, Andrej Grubisic, Weijun Zheng, Matthias Gotz, Gerd Gantefor, Kit H. Bowen, Puru Jena, and Boggavarapu Kiran

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Communications: Chain and double-ring polymeric structures: Observation of AlnH3n+1− (n=4–8) and Al4H14, Xiang Li, Andrej Grubisic, Kit H. Bowen, Anil K. Kandalam, Boggavarapu Kiran, Gerd Gantefor, and Puru Jena

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Negative ions of transition metal-halogen clusters, Kalpataru Pradhan, Gennady L. Gutsev, and Purusottam Jena

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Enhanced magnetic moments of alkali metal coated Sc clusters: New magnetic superatoms, Kalpataru Pradhan, J. Ulises Reveles, Prasenjit Sen, and S. N. Khanna

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Surface photovoltage in undoped n-type GaN, M. A. Reshchikov, M. Foussekis, and A. A. Baski

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Crystal field effects on the reactivity of aluminum-copper cluster anions, Patrick J. Roach, W. Hunter Woodward, Arthur C. Reber, Shiv N. Khanna, and A. W. Castleman Jr.

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Oxidation of Pdn (n=1–7,10) clusters supported on alumina/NiAl(110), R. Robles and Shiv N. Khanna

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Magnetic moment and local moment alignment in anionic and/or oxidized Fen clusters, D. R. Roy, R. Robles, and S. N. Khanna

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Probing the existence of energetically degenerate cluster isomers by chemical tagging, Qian Wang, Qiang Sun, and Puru Jena

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First-principles study of hydrogen adsorption in metal-doped COF-10, Miao Miao Wu, Qian Wang, Qiang Sun, Puru Jena, and Yoshiyuki Kawazoe

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Electronic and magnetic properties of a BN sheet decorated with hydrogen and fluorine, Jian Zhou, Qian Wang, Qiang Sun, and Puru Jena

Submissions from 2009

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Photoadsorption and photodesorption for GaN, M. Foussekis, A. A. Baski, and Michael A. Reshchikov

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Al13H−: Hydrogen atom site selectivity and the shell model, A. Grubisic, X. Li, S. T. Stokes, K. Vetter, G. F. Ganteför, K. H. Bowen, P. Jena, B. Kiran, R. Burgert, and H. Schnöckel

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Highly efficient (Cs8V) superatom-based spin-polarizer, Haiying He, Ravindra Pandey, J. Ulises Reveles, Shiv N. Khanna, and Shashi P. Karna

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Origin of the anatase to rutile conversion of metal-doped TiO2, Sa Li and Puru Jena

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Magnetic response of core-shell cobalt ferrite nanoparticles at low temperature, K. Maaz, M. Usman, S. Karim, A. Mumtaz, S. K. Hasanain, and M. F. Bertino

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Electronic behavior of the Zn- and O-polar ZnO surfaces studied using conductive atomic force microscopy, J. C. Moore, S. M. Kenny, C. S. Baird, H. Morkoç, and A. A. Baski

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Magnetism in assembled and supported silicon endohedral cages: First-principles electronic structure calculations, R. Robles and Shiv N. Khanna

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Stable T2Sin (T=Fe,Co,Ni,1≤n≤8) cluster motifs, R. Robles and S. N. Khanna

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Photoelectron imaging and theoretical investigation of bimetallic Bi1–2Ga−0–2 and Pb−1–4 cluster anions, M. A. Sobhy, J. Ulises Reveles, Ujjwal Gupta, Shiv N. Khanna, and A. W. Castleman Jr.

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Functionalized heterofullerenes for hydrogen storage, Qiang Sun, Qian Wang, and Puru Jena

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Magnetic properties of transition-metal-doped Zn1−xTxO (T=Cr, Mn, Fe, Co, and Ni) thin films with and without intrinsic defects: A density functional study, Qian Wang, Qiang Sun, Puru Jena, and Y. Kawazoe