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Theoretical Methods and Algorithms Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project (9 pages)
Jens Strabo Hummelshoj,David D Landis, Jochen Voss, Tao Jiang, Adem Tekin,N Bork, M Duoak,J J Mortensen,Lyudmyla Adamska,Jari Andersin, Joachim Baran,G D Barmparis, F G Bell,A L Bezanilla, James Matthew Bjork,F Bleken,F Buchter, Martin Burkle, Patrick D Burton, Bjarke B Buus,Federico Callevallejo,Siro Casolo, Brett Chandler, David Chi,Izabela Czekaj,Sekharajit Datta, A B Datye,Andrew Delariva,Vito Despoja,Sidney I Dobrin,Mads Engelund,Lara Ferrighi,P Frondelius, Qingtao Fu, Antonio Rodriguez Fuentes, John E Furst,A Garciafuente,Jeppe Gavnholt,Ronald S Goeke,Soffia Gudmundsdottir, Karl Daniel Hammond,Hallstein Asheim Hansen, David D Hibbitts,Jakob G Howalt,S L Hruby, Ashley Huth, L P Isaeva, Jelena Jelic,I J T Jensen,Katarzyna A Kacprzak,A Kelkkanen,Deidre F Kelsey,Jesper Kleis,Peter Klupfel, Ivan A Konstantinov, Richard Korytar,P Koskinen,C Mani Krishna,Edward L Kunkes,Anja Holm Larsen,Juan Maria Garcia Lastra, Henry Lin,Olga Lopezacevedo,Mauro Mantega, J L Martinez, I N Mesa,D J Mowbray,Y Natanzon,Adela P Nistor, Tanya Olsen,Luana S Pedroza, Vanessa Petzold,Craig P Plaisance,Jacob A Rasmussen, Haizhen Ren, Matteo Rizzi, A S Ronco,C Rostgaard,Slami Saadi, L Andrea Salguero, Elton J G Santos,Aline L Schoenhalz, J F Shen, O J Stausholmmoller, M Stibius,Mikkel Strange, Hongbing Su,Burcin Temel,A Toftelund,Vladimir Tripkovic, Michele Vanin, Venkatesh Viswanathan,Aleksandra Vojvodic, S C Wang,Kristian S Thygesen,Jan Rossmeisl
mag（2009）
引用23浏览0引用
23
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Density Functional Theory Based Screening of Ternary Alkali-Transition Metal Borohydrides: A Computational Material Design Project
J. S. Hummelshoj,D. D. Landis,J. Voss,T. Jiang,A. Tekin,N. Bork,M. Dulak,J. J. Mortensen,L. Adamska,J. Andersin,J. D. Baran,G. D. Barmparis,F. Bell,A. L. Bezanilla,J. Bjork,M. E. Bjorketun,F. Bleken,F. Buchter,M. Burkle,P. D. Burton, B. B. Buus,A. Calborean,F. Calle-Vallejo,S. Casolo,B. D. Chandler,D. H. Chi,I. Czekaj,S. Datta,A. Datye,A. DeLaRiva,V. Despoja,S. Dobrin,M. Engelund,L. Ferrighi,P. Frondelius,Q. Fu, A. Fuentes, J. Furst,A. Garcia-Fuente, J. Gavnholt,R. Goeke,S. Gudmundsdottir,K. D. Hammond,H. A. Hansen,D. Hibbitts,E. Hobi,J. G. Howalt,S. L. Hruby, A. Huth, L. Isaeva,J. Jelic,I. J. T. Jensen,K. A. Kacprzak,A. Kelkkanen, D. Kelsey, D. S. Kesanakurthi,J. Kleis, P. J. Klupfel, I. Konstantinov,R. Korytar,P. Koskinen,C. Krishna,E. Kunkes,A. H. Larsen,J. M. G. Lastra, H. Lin, O. Lopez-Acevedo, M. Mantega,J. I. Martinez, I. N. Mesa,D. J. Mowbray,J. S. G. Myrdal,Y. Natanzon, A. Nistor,T. Olsen,H. Park,L. S. Pedroza,V. Petzold,C. Plaisance, J. A. Rasmussen,H. Ren,M. Rizzi, A. S. Ronco,C. Rostgaard, S. Saadi, L. A. Salguero,E. J. G. Santos,A. L. Schoenhalz,J. Shen, M. Smedemand, O. J. Stausholm-Moller, M. Stibius,M. Strange,H. B. Su,B. Temel,A. Toftelund,V. Tripkovic,M. Vanin,V. Viswanathan,A. Vojvodic,S. Wang, J. Wellendorff,K. S. Thygesen,J. Rossmeisl,T. Bligaard,K. W. Jacobsen,J. K. Norskov,T. Vegge
Journal of chemical physics online/˜The œJournal of chemical physics/Journal of chemical physics（2009）
引用97浏览0WOS引用
97
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