Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.
Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. [electronic resource] - The Journal of chemical physics Jul 2009 - 014101 p. digital
Publication Type: Journal Article
1089-7690
10.1063/1.3148892 doi
Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.
APA
Hummelshøj J. S., Landis D. D., Voss J., Jiang T., Tekin A., Bork N., Dułak M., Mortensen J. J., Adamska L., Andersin J., Baran J. D., Barmparis G. D., Bell F., Bezanilla A. L., Bjork J., Björketun M. E., Bleken F., Buchter F., Bürkle M., Burton P. D., Buus B. B., Calborean A., Calle-Vallejo F., Casolo S., Chandler B. D., Chi D. H., Czekaj I., Datta S., Datye A., DeLaRiva A., Despoja V., Dobrin S., Engelund M., Ferrighi L., Frondelius P., Fu Q., Fuentes A., Fürst J., García-Fuente A., Gavnholt J., Goeke R., Gudmundsdottir S., Hammond K. D., Hansen H. A., Hibbitts D., Hobi E., Howalt J. G., Hruby S. L., Huth A., Isaeva L., Jelic J., Jensen I. J. T., Kacprzak K. A., Kelkkanen A., Kelsey D., Kesanakurthi D. S., Kleis J., Klüpfel P. J., Konstantinov I., Korytar R., Koskinen P., Krishna C., Kunkes E., Larsen A. H., Lastra J. M. G., Lin H., Lopez-Acevedo O., Mantega M., Martínez J. I., Mesa I. N., Mowbray D. J., Mýrdal J. S. G., Natanzon Y., Nistor A., Olsen T., Park H., Pedroza L. S., Petzold V., Plaisance C., Rasmussen J. A., Ren H., Rizzi M., Ronco A. S., Rostgaard C., Saadi S., Salguero L. A., Santos E. J. G., Schoenhalz A. L., Shen J., Smedemand M., Stausholm-Møller O. J., Stibius M., Strange M., Su H. B., Temel B., Toftelund A., Tripkovic V., Vanin M., Viswanathan V., Vojvodic A., Wang S., Wellendorff J., Thygesen K. S., Rossmeisl J., Bligaard T., Jacobsen K. W., Nørskov J. K. & Vegge T. (20090916). Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. : The Journal of chemical physics.
Chicago
Hummelshøj J S, Landis D D, Voss J, Jiang T, Tekin A, Bork N, Dułak M, Mortensen J J, Adamska L, Andersin J, Baran J D, Barmparis G D, Bell F, Bezanilla A L, Bjork J, Björketun M E, Bleken F, Buchter F, Bürkle M, Burton P D, Buus B B, Calborean A, Calle-Vallejo F, Casolo S, Chandler B D, Chi D H, Czekaj I, Datta S, Datye A, DeLaRiva A, Despoja V, Dobrin S, Engelund M, Ferrighi L, Frondelius P, Fu Q, Fuentes A, Fürst J, García-Fuente A, Gavnholt J, Goeke R, Gudmundsdottir S, Hammond K D, Hansen H A, Hibbitts D, Hobi E, Howalt J G, Hruby S L, Huth A, Isaeva L, Jelic J, Jensen I J T, Kacprzak K A, Kelkkanen A, Kelsey D, Kesanakurthi D S, Kleis J, Klüpfel P J, Konstantinov I, Korytar R, Koskinen P, Krishna C, Kunkes E, Larsen A H, Lastra J M G, Lin H, Lopez-Acevedo O, Mantega M, Martínez J I, Mesa I N, Mowbray D J, Mýrdal J S G, Natanzon Y, Nistor A, Olsen T, Park H, Pedroza L S, Petzold V, Plaisance C, Rasmussen J A, Ren H, Rizzi M, Ronco A S, Rostgaard C, Saadi S, Salguero L A, Santos E J G, Schoenhalz A L, Shen J, Smedemand M, Stausholm-Møller O J, Stibius M, Strange M, Su H B, Temel B, Toftelund A, Tripkovic V, Vanin M, Viswanathan V, Vojvodic A, Wang S, Wellendorff J, Thygesen K S, Rossmeisl J, Bligaard T, Jacobsen K W, Nørskov J K and Vegge T. 20090916. Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. : The Journal of chemical physics.
Harvard
Hummelshøj J. S., Landis D. D., Voss J., Jiang T., Tekin A., Bork N., Dułak M., Mortensen J. J., Adamska L., Andersin J., Baran J. D., Barmparis G. D., Bell F., Bezanilla A. L., Bjork J., Björketun M. E., Bleken F., Buchter F., Bürkle M., Burton P. D., Buus B. B., Calborean A., Calle-Vallejo F., Casolo S., Chandler B. D., Chi D. H., Czekaj I., Datta S., Datye A., DeLaRiva A., Despoja V., Dobrin S., Engelund M., Ferrighi L., Frondelius P., Fu Q., Fuentes A., Fürst J., García-Fuente A., Gavnholt J., Goeke R., Gudmundsdottir S., Hammond K. D., Hansen H. A., Hibbitts D., Hobi E., Howalt J. G., Hruby S. L., Huth A., Isaeva L., Jelic J., Jensen I. J. T., Kacprzak K. A., Kelkkanen A., Kelsey D., Kesanakurthi D. S., Kleis J., Klüpfel P. J., Konstantinov I., Korytar R., Koskinen P., Krishna C., Kunkes E., Larsen A. H., Lastra J. M. G., Lin H., Lopez-Acevedo O., Mantega M., Martínez J. I., Mesa I. N., Mowbray D. J., Mýrdal J. S. G., Natanzon Y., Nistor A., Olsen T., Park H., Pedroza L. S., Petzold V., Plaisance C., Rasmussen J. A., Ren H., Rizzi M., Ronco A. S., Rostgaard C., Saadi S., Salguero L. A., Santos E. J. G., Schoenhalz A. L., Shen J., Smedemand M., Stausholm-Møller O. J., Stibius M., Strange M., Su H. B., Temel B., Toftelund A., Tripkovic V., Vanin M., Viswanathan V., Vojvodic A., Wang S., Wellendorff J., Thygesen K. S., Rossmeisl J., Bligaard T., Jacobsen K. W., Nørskov J. K. and Vegge T. (20090916). Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. : The Journal of chemical physics.
MLA
Hummelshøj J S, Landis D D, Voss J, Jiang T, Tekin A, Bork N, Dułak M, Mortensen J J, Adamska L, Andersin J, Baran J D, Barmparis G D, Bell F, Bezanilla A L, Bjork J, Björketun M E, Bleken F, Buchter F, Bürkle M, Burton P D, Buus B B, Calborean A, Calle-Vallejo F, Casolo S, Chandler B D, Chi D H, Czekaj I, Datta S, Datye A, DeLaRiva A, Despoja V, Dobrin S, Engelund M, Ferrighi L, Frondelius P, Fu Q, Fuentes A, Fürst J, García-Fuente A, Gavnholt J, Goeke R, Gudmundsdottir S, Hammond K D, Hansen H A, Hibbitts D, Hobi E, Howalt J G, Hruby S L, Huth A, Isaeva L, Jelic J, Jensen I J T, Kacprzak K A, Kelkkanen A, Kelsey D, Kesanakurthi D S, Kleis J, Klüpfel P J, Konstantinov I, Korytar R, Koskinen P, Krishna C, Kunkes E, Larsen A H, Lastra J M G, Lin H, Lopez-Acevedo O, Mantega M, Martínez J I, Mesa I N, Mowbray D J, Mýrdal J S G, Natanzon Y, Nistor A, Olsen T, Park H, Pedroza L S, Petzold V, Plaisance C, Rasmussen J A, Ren H, Rizzi M, Ronco A S, Rostgaard C, Saadi S, Salguero L A, Santos E J G, Schoenhalz A L, Shen J, Smedemand M, Stausholm-Møller O J, Stibius M, Strange M, Su H B, Temel B, Toftelund A, Tripkovic V, Vanin M, Viswanathan V, Vojvodic A, Wang S, Wellendorff J, Thygesen K S, Rossmeisl J, Bligaard T, Jacobsen K W, Nørskov J K and Vegge T. Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. : The Journal of chemical physics. 20090916.