Research Highlights
Ultrathin molecular sieves

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Recent Publications:
L. Zhang, B. Liu, H. Zhuang, P. R. C. Kent, V. R. Cooper, P. Ganesh and H. Xu Oxygen vacancy diffusion in bulk SrTiO3 from density functional theory calculations Com. Mat. Sci. 118, 309 (2016)

V. R. Cooper, B. K. Voas, C. A. Bridges, J. R. Morris and S. P. Beckman First principles materials design of novel functional oxides J. Adv. Dielect. 6, 1650011 (2016)

H. L. Zhuang, L. Zhang, H. Xu, P. R. C. Kent, P. Ganesh and V. R. Cooper Tunable one-dimensional electron gas carrier densities at nanostructured oxide interfaces Sci. Rep. 6, 25452 (2016)

A. Glavic, H. Dixit, V. R. Cooper and A. A. Aczel Constructing a magnetic handle for antiferromagnetic manganites Phys. Rev. B (R) 93, 140413(R) (2016)

G. Li, T. Rangel, Z.-F. Liu, V. R. Cooper and J. B. Neaton Energy level alignment of self-assembled linear chains of benzenediamine on Au(111) from first principles Phys. Rev. B 93, 125429 (2016)

J. R. Petrie, V. R. Cooper, J. W. Freeland, T. L. Meyer, Z. Zhang, D. A. Lutterman, and H. N. Lee Enhanced bifunctional oxygen catalysis in strained LaNiO3 perovskites J. Am. Chem. Soc. 138, 2488 (2016)

G. R. Bhimanapati, Z. Lin, V. Meunier, Y. Jung, J. J. Cha, S. Das, D. Xiao, Y. Son, M. S. Strano, V. R. Cooper, L. Liang, S. G. Louie, E. Ringe, W. Zhou, B. G. Sumpter, H. Terrones, F. Xia, Y. Wang, J. Zhu, D. Akinwande, N. Alem, J. A. Schuller, R. E. Schaak, M. Terrones and J. A. Robinson Recent advances in two-dimensional materials beyond graphene ACS Nano 9, 11509 (2015)

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

X. Yin, V. R. Cooper, H. H. Weitering and P. C. Snijders Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model J. Phys. Chem. 119, 23495 (2015)

H. L. Zhuang, V. R. Cooper, H. Xu, P. Ganesh, R. G. Hennig and P. R. C. Kent Rashba effect in single-layer antimony telluroiodide SbTeI Phys. Rev. B , 115302 (2015)

J. Adler, O. Adler, M. Kreif, O. Cohen, B. Grosso, A. Hashibon, V. R. Cooper Mini-review of electron density visualization Phys. Procedia 68, 2 (2015)

V. R. Cooper and K. J. Donald First principles predictions of van der Waals bonded inorganic crystal structures: Test case, HgCl2 Phys. Procedia 68, 25 (2015)

H. Dixit, J. H. Lee, J. Krogel, S. Okamoto and V. R. Cooper Stabilization of weak ferromagnetism by strong magnetic response to epitaxial strain in multiferroic BiFeO3 Sci. Rep. 5, 12969 (2015)

R. E. Ruther, A. M. Pezeshki, H. Dixit, R. L. Sacci, V. R. Cooper, J. Nanda and G. M. Veith Correlating local structure with electrochemical activity in Li2MnO3: A combined experimental and theoretical Raman spectroscopic investigation J. Phys. Chem. C 119, 18022 (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)

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