Results 41 to 50 of about 31,033 (331)

Electronic structure, phase stability and chemical bonding in Th$_2$Al and Th$_2$AlH$_4$ [PDF]

, 2001
We present the results of theoretical investigation on the electronic structure, bonding nature and ground state properties of Th$_2$Al and Th$_2$AlH$_4$ using generalized-gradient-corrected first-principles full-potential density-functional calculations.
A. Chikdene, A. Kjekshus, A. Pasturel, A. Skjeltorp, B.K. Rao, B.S. Bowerman, C. Ravi, C. Switendick, D. Singh, D.C. Patton, D.G. Westlake, E.E. Havinga, F. Bonhomme, F. Boucher, H. Fjellvåg, H. Nakamura, H.H. Van Mal, J. Bergsma, J. Osterwalder, J.C. Phillips, J.H. Xu, J.J. Murray, J.P. Perdew, J.P. Perdew, K. Knox, M.H. Sørby, M.M. Elcombe, O.K. Andersen, O.K. Andersen, P. Ravindran, P. Ravindran, P. Ravindran, P. Vajeeston, P. Vajeeston, P. Vinet, P.E. Blochl, R. Dronskowski, R. Vidya, S.C. Abrahams, V.A. Yartys, V.L. Moruzzi, W.N. Hubbard   +41 more
core   +1 more source

Unstable Metal Hydrides for Possible On-Board Hydrogen Storage

Hydrogen
Hydrogen storage in general is an indispensable prerequisite for the introduction of a hydrogen energy-based infrastructure. In this respect, high-pressure metal hydride (MH) tank systems appear to be one of the most promising hydrogen storage techniques
Zhijie Cao, Franziska Habermann, Konrad Burkmann, Michael Felderhoff, Florian Mertens   +4 more
doaj   +1 more source

Complex hydrides for hydrogen storage – new perspectives [PDF]

Materials Today, 2014
Since the 1970s, hydrogen has been considered as a possible energy carrier for the storage of renewable energy. The main focus has been on addressing the ultimate challenge: eveloping an environmentally friendly successor for gasoline. This very ambitious goal has not yet been fully reached, as discussed in this review, but a range of new lightweight ...
Ley, Morten Brix, Jepsen, Lars Haahr, Lee, Young-Su, Cho, Young Whan, Von Colbe, J.B., Dornheim, Martin, Rokni, Masoud, jensen, Jens Oluf, Sloth, Mikael, Filinchuk, Yaroslav, Jørgensen, Jens-Erik, Besenbacher, Flemming, Jensen, Torben René   +12 more
openaire   +4 more sources

Origin of High-Temperature Superconductivity in Compressed LaH$_{10}$ [PDF]

, 2019
Room-temperature superconductivity has been one of the most challenging subjects in modern physics. Recent experiments reported that lanthanum hydride LaH$_{10{\pm}x}$ ($x$$
Cho, Jun-Hyung, Kim, Jaeyong, Kim, Kun Woo, Liu, Liangliang, Wang, Chongze, Yi, Seho   +5 more
core   +2 more sources

Ionic conduction in Li3Na(NH2)4: Study of the material design for the enhancement of ion conductivity in double-cation complex hydrides

AIP Advances, 2019
Complex hydrides have collected recent attention as a new class of solid electrolytes with potential applications in all-solid-state batteries. To improve ionic conduction in the complex hydrides, multi-cation crystal structure can be attractive. It will
Biswajit Paik, Hiroyuki Oguchi, Toyoto Sato, Shigeyuki Takagi, Arunkumar Dorai, Naoaki Kuwata, Junichi Kawamura, Shin-ichi Orimo   +7 more
doaj   +1 more source

Reduction reactions with complex hydrides [PDF]

, 2019
Aluminiumhydrid und komplexe Aluminiumhydride haben besondere Aufmerksamkeit für ihre Verwendung als Wasserstoffspeichermaterialien erhalten, sie sind jedoch auch besonders interessant für ihre Verwendung als Reduktionsmittel in der organischen Chemie.
openaire   +2 more sources

On the formation of blisters in annealed hydrogenated a-Si layers [PDF]

, 2013
Differently hydrogenated radio frequency-sputtered a-Si layers have been studied by infrared (IR) spectroscopy as a function of the annealing time at 350 Celsius with the aim to get a deeper understanding of the origin of blisters previously observed ...
Csik, Attila, Frigeri, Cesare, Kamarás, Katalin, Khánh, Nguyen Quoc, Nasi, Lucia, Serényi, Miklós, Szekrényes, Zsolt   +6 more
core   +1 more source

Additive Gaussian Process Regression for Predictive Design of High‐Performance, Printable Silicones

Advanced Engineering Materials, EarlyView.
A chemistry‐aware design framework for tuning printable polydimethylsiloxane (PDMS) for vat photopolymerization (VPP) is developed using additive Gaussian process (GP) modeling. Polymer network mechanics informs variable groupings, feasible formulation constraints, and interaction variables.
Roxana Carbonell, Martha Leach, Hongtao Song, Carolyn Seepersad   +3 more
wiley   +1 more source

Transparent yttrium hydride thin films prepared by reactive sputtering [PDF]

, 2011
Metal hydrides have earlier been suggested for utilization in solar cells. With this as a motivation we have prepared thin films of yttrium hydride by reactive magnetron sputter deposition.
Hauback, B. C., Holt, A., Karazhanov, S. Zh., Maehlen, J. P., Mongstad, T., Platzer-Björkman, C.   +5 more
core   +2 more sources

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source