Research Highlights
Ultrathin molecular sieves

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Recent Publications:
E. Schröder, V. R. Cooper, K. Berland, B. I. Lundqvist, P. Hyldgaard and T. Thonhauser The vdW-DF family of nonlocal exchange-correlation functionals Noncovalent interactions in quantum chemistry and physics: Theory and applications , (2017)

V. R. Cooper, C. N. Lam, Y. Wang, B. G. Sumpter Noncovalent interactions in nanotechnology Noncovalent interactions in quantum chemistry and physics: Theory and applications , (2017)

R. Sachan, V. R. Cooper, B. Liu, D. S. Aidhy, B. K. Voas, M. Lang, X. Ou, C. Trautmann, Y. Zhang, M. F. Chisholm and W. J. Weber Forging Fast Ion Conducting Nanochannels With Swift Heavy Ions: The Correlated Role of Local Electronic and Atomic Structure J. Phys. Chem. C 121, 975 (2017)

S. F. Yuk, K. Pitike,S. Nakhmanson, M. Eisenbach, Y.-W. Li and V. R. Cooper Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects Sci. Rep. , (2017)

X. Li, A. A. Puretzky, X. Sang, S. KC, M. Tian, F. Ceballos, M. Mahjouri-Samani, K. Wang, R. R. Unocic, H. Zhao, G. Duscher, V. R. Cooper, C. Rouleau, D. B. Geohegan and K. Xiao Suppression of defects and deep levels using isoelectronic tungsten substitution in monolayer MoSe2 Adv. Funct. Mater. , DOI: 10.1002/adfm.201603850 (2016)

Y. Lu, H. L. Zhuang, K. Zhang, V. R. Cooper and Q. Li Chloride-reinforced carbon nanofiber host as effective polysulfide traps in lithium-sulfur batteries Adv. Sci. 3, 1600175 (2016)

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 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 92, 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)

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