Research Highlights
Ultrathin molecular sieves

News and Events:
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)

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. 27, 1603850 (2017)

J. Nichols, S. F. Yuk, C. Sohn, H. Jeen, J. W. Freeland, V. R. Cooper and H. N. Lee Electronic and magnetic properties of epitaxial SrRhO3 films Phys. Rev. B , (2017)

M. A. McGuire, V. O. Garlea, S. KC, V. R. Cooper, J. Yan, H. Cao and B. C. Sales Antiferromagnetism in the van der Waals layered spin-lozenge semiconductor CrTe3 Phys. Rev. B 95, 144421 (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. 7, 43482 (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)

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)

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