Hydrogen vacancies facilitate hydrogen transport kinetics in sodium hydride nanocrystallites
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چکیده
منابع مشابه
PERFORMANCE OF AB, ALLOYS FOR HYDROGEN STORAGE AND HYDRIDE ELECTRODES
Two types of hydride electxodes are potential candidates to replace the Cd elecsode in NilCd batteries, One is of the A type where A is a rare earth metal or mixture thereof, and B is the transition metal. The other is commonly referred to as A type. A , type alloys with partial substitution of the B element in A type hydride material (Ovonic) with Co, Mn, Al, and Fe were studied (A compo...
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Bernadett Szûcs, Adam Gali, Zoltán Hajnal, Peter Deák, and Chris G. Van de Walle Department of Atomic Physics, Budapest University of Technology and Economics, Budafoki út 8., H-1111, Budapest, Hungary Theoretische Physik, Universität Paderborn, D-33098 Paderborn, Germany Research Institute for Technical Physics and Materials Science, P.O.B. 49, Budapest, H-1525 Hungary Palo Alto Research Cente...
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The effects of H on the interaction between Ga vacancies VGa and N in GaAs12xNx dilute alloys are studied through first-principles total-energy calculations. We find that N binds to Ga vacancies and that in the presence of H this binding is enhanced. The formation energy of VGa bonded to N and H ~resulting in a N-H-VGa complex! can be more than 2 eV lower than that of the isolated Ga vacancy VG...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2008
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.78.224110