Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project. [electronic resource]
By: Contributor(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
- 1089-7690
Publication Type: Journal Article
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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.