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First principles investigation of zinc-anode dissolution in zinc-air batteries.
Phys Chem Chem Phys. 2013 May 7;15(17):6416-21. doi: 10.1039/c3cp50349f.
Phys Chem Chem Phys. 2013.
PMID: 23525197
Free article.
Communication: the influence of CO2 poisoning on overvoltages and discharge capacity in non-aqueous Li-Air batteries.
Mekonnen YS, Knudsen KB, Mýrdal JS, Younesi R, Højberg J, Hjelm J, Norby P, Vegge T.
Mekonnen YS, et al. Among authors: myrdal js.
J Chem Phys. 2014 Mar 28;140(12):121101. doi: 10.1063/1.4869212.
J Chem Phys. 2014.
PMID: 24697413
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A DFT-based genetic algorithm search for AuCu nanoalloy electrocatalysts for CO₂ reduction.
Lysgaard S, Mýrdal JS, Hansen HA, Vegge T.
Lysgaard S, et al. Among authors: myrdal js.
Phys Chem Chem Phys. 2015 Nov 14;17(42):28270-6. doi: 10.1039/c5cp00298b. Epub 2015 Apr 30.
Phys Chem Chem Phys. 2015.
PMID: 25924775
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Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.
Hummelshøj JS, Landis DD, Voss J, Jiang T, Tekin A, Bork N, Dułak M, Mortensen JJ, Adamska L, Andersin J, Baran JD, Barmparis GD, Bell F, Bezanilla AL, Bjork J, Björketun ME, Bleken F, Buchter F, Bürkle M, Burton PD, Buus BB, Calborean A, Calle-Vallejo F, Casolo S, Chandler BD, Chi DH, 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 KD, Hansen HA, Hibbitts D, Hobi E Jr, Howalt JG, Hruby SL, Huth A, Isaeva L, Jelic J, Jensen IJ, Kacprzak KA, Kelkkanen A, Kelsey D, Kesanakurthi DS, Kleis J, Klüpfel PJ, Konstantinov I, Korytar R, Koskinen P, Krishna C, Kunkes E, Larsen AH, Lastra JM, Lin H, Lopez-Acevedo O, Mantega M, Martínez JI, Mesa IN, Mowbray DJ, Mýrdal JS, Natanzon Y, Nistor A, Olsen T, Park H, Pedroza LS, Petzold V, Plaisance C, Rasmussen JA, Ren H, Rizzi M, Ronco AS, Rostgaard C, Saadi S, Salguero LA, Santos EJ, Schoenhalz AL, Shen J, Smedemand M, Stausholm-Møller OJ, Stibius M, Strange M, Su HB, Temel B, Toftelund A, Tripkovic V, Vanin M, Viswanathan V, Vojvodic A, Wang S, Wellendorff J, Thygesen KS, Rossmeisl J, Bligaard T, Jaco…
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Hummelshøj JS, et al. Among authors: myrdal js.
J Chem Phys. 2009 Jul 7;131(1):014101. doi: 10.1063/1.3148892.
J Chem Phys. 2009.
PMID: 19586090
Free article.
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