Research Highlights
Ultrathin molecular sieves

News and Events:
Recent Publications:
B. Grosso, V. R. Cooper, P. Pine, A. Hashibon, Y. Yaish and J. Adler Visualization of electronic density Comput. Phys. Commun. 195, 1 (2015)

H. Dixit, C. Beekman, C. M. Schlepütz, W. Siemons, Y. Yang, N. Senabulya, R. Clarke, M. Chi, H. M. Christen and V. R. Cooper Understanding strain-induced phase transformations in BiFeO3 thin films Adv. Sci. 2, 1500041 (2015)

K. Berland, V. R. Cooper, K. Lee, E. Schröder, T. Thonhauser, P. Hyldgaard and B. I. Lundqvist van der Waals forces in density functional theory: a review of the vdW-DF method Rep. Prog. Phys. 78, 066501 (2015)

B. Liu, V. R. Cooper, Y. Zhang and W. J. Weber Segregation and trapping of oxygen vacancies near the SrTiO3 Σ3 (112) [110] tilt grain boundary Acta Mat. 90, 394 (2015)

J. H. You, J. H. Lee, S. Okamoto, V. R. Cooper and H. N. Lee Strain engineering of the electronic properties in δ-doped oxide superlattices J. Phys. D: Appl. Phys. 48, 085303 (2015)

M. A. McGuire, H. Dixit, V. R. Cooper and B. C. Sales Coupling of structure and magnetism in the two-dimensional ferromagnet CrI3 Chem. Mater. 27, 612 (2015)

H. Dixit, W. Zhou, J.-C. Idrobo, J. Nanda and V. R. Cooper Facet dependent disorder in pristine high voltage Lithium-Manganese-rich cathodes ACS Nano 8, 12710 (2014)

V. R. Cooper, S. S. A. Seo, S. Lee, J. S. Kim, W. S. Choi, S. Okamoto and H. N. Lee Transparent conducting oxides: A δ-doped superlattice approach Sci. Rep. 4, 6021 (2014)

H. Zhuang, P. Ganesh, V. R. Cooper, H. Xu and P. R. C. Kent Understanding the interactions between oxygen vacancies at SrTiO3 (001) surfaces Phys. Rev. B 90, 064106 (2014)

B. K. Voas, T.-M. Usher, X. Liu, J. L. Jones, X. Tan, V. R. Cooper and S. P. Beckman Special quasirandom structures to study the (K0.5Na0.5)NbO3 random alloy Phys. Rev. B 90, 024105 (2014)

B. Liu, V. R. Cooper, H. Xu, H. Xiao, Y. Zhang and W. J. Weber Composition dependent intrinsic defect structures in SrTiO3 Phys. Chem. Chem. Phys. 16, 15590 (2014)

K. Berland, C. A. Arter, V. R. Cooper, K. Lee, B. I. Lundqvist, E. Schröder, T. Thonhauser and P. Hyldgaard van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions J. Chem. Phys. 140, 18A539 (2014)

F. W. Averill, J. R. Morris and V. R. Cooper Theoretical studies of the effects of Th and Ce additions to microstructural stability in Ir Phil. Mag. 94, 991 (2014)

S. Calder, G.-X Cao, S. Okamoto, J. W. Kim, V. R. Cooper, Z. Gai, B. C. Sales, M. D. Lumsden, D. Mandrus and A. D. Christianson Jeff=1/2 Mott spin-orbit insulating state close to the cubic limit in Ca4IrO6 Phys. Rev. B 89, 081104 (R) (2014)

N. Sivadas, H. Dixit, V. R. Cooper and D. Xiao Thickness dependent carrier density at the surface of SrTiO3 (111) slabs Phy. Rev. B 89, 075303 (2014)

Y. Ihm, V. R. Cooper, N. C. Gallego, C. I. Contescu and J. R. Morris Microstructure-dependent gas adsorption: Accurate predictions of methane uptake in nanoporous carbons J. Chem. Theory Comput. 10, 1 (2014)

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