Results 31 to 40 of about 879 (156)

Effect of Ti and metal vacancies on the electronic structure, stability, and dehydrogenation of Na3AlH6: Supercell band-structure formalism and gradient-corrected density-functional theory [PDF]

, 2006
Electronic and structural properties of sodium-aluminum hexahydride (Na3AlH6) formed during the decomposition reaction of sodium alanate (NaAlH4) and the effects of Ti catalyst are studied using supercell approach and density-functional theory.
Jena, Puru, Li, S.
core   +2 more sources

Tailoring Hydrogen Storage Materials Kinetics and Thermodynamics Through Nanostructuring, and Nanoconfinement With In‐Situ Catalysis

Interdisciplinary Materials, Volume 4, Issue 2, Page 249-283, March 2025.
Stable thermodynamics and slow kinetics of hydrogen storage materials are the bottlenecks to its widespread applications. Thermodynamic and kinetic barriers can be tailored by doping nanocatalysts, reducing particle sizes, and nanoconfinement/core–shell structures.
Darvaish Khan, Wee‐Jun Ong
wiley   +1 more source

Dehydrogenation from 3d-transition-metal-doped NaAlH4: Prediction of catalysts [PDF]

, 2007
A fundamental understanding of the role of catalysts in improving the kinetics and thermodynamics of hydrogen sorption in NaAlH4 is the key for using this material in hydrogen storage. The authors present a systematic theoretical study of energies needed
Ahuja, R., Araújo, C. Moysés, Blomqvist, A., Jena, Puru   +3 more
core   +2 more sources

Metal Hydrides for Sustainable Hydrogen Storage: A Review

International Journal of Energy Research, Volume 2025, Issue 1, 2025.
Storing hydrogen in metals has received much attention due to the advantages of this approach for safely storing. It is a promising method of storing hydrogen and eliminates the challenges associated with storing hydrogen gas at high pressure, which includes material durability, tank safety, and overall weight.
E. Nemukula, C. B. Mtshali, F. Nemangwele, Semen Klyamkin   +3 more
wiley   +1 more source

Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes

Тонкие химические технологии, 2011
Review of results of quantum-chemical calculations of potential energy surfaces performed for several families of elementary reactions: 1) successive dehydrogenation of complex alanates of alkali and alkali-earth metals; 2) dissociative adsorption of ...
O. P. Charkin, N. M. Klimenko
doaj  

Caractérisation par RMN du solide des matrices de stockage solide de l'hydrogène [PDF]

, 2007
On peut distinguer trois moyens de stockage de l'hydrogène à bord d'un véhicule : sous forme liquide (à 20K sous 10 bars), sous forme comprimée (350 bars), ou dans des matériaux solides sous forme physisorbée ou chimisorbée.
Berthault, Patrick, Charpentier, Thibault, Pilette, Marie-Anne   +2 more
core   +1 more source

Workshop on industrial use of molecular thermodynamics [PDF]

, 2013
International audienceLa meilleure compre'hension des phe'nome'nes a' l'e'chelle mole'culaire ouvre la voie a' un vaste champ de nouvelles applications possibles pour l'industrie chimique et au-dela' .
de Hemptinne, Jean-Charles, Jaubert, Jean-Noel, Kontogeorgis, Georgios   +2 more
core   +3 more sources

Composite electrolytes and interface designs for progressive solid‐state sodium batteries

Carbon Energy, Volume 6, Issue 10, October 2024.
Solid‐state sodium batteries are recognized as the most promising substitute for current energy systems due to their high safety and low cost. Numerous studies on the structural design and interface engineering of solid‐state electrolytes aim to solve the critical problems in solid‐state batteries.
Junyu Hou, Tianke Zhu, Gang Wang, Rongrong Cheacharoen, Wu Sun, Xingyu Lei, Qunyao Yuan, Dalin Sun, Jie Zhao   +8 more
wiley   +1 more source

A Hydridoaluminate Additive Producing a Protective Coating on Ni‐Rich Cathode Materials in Lithium‐Ion Batteries

Advanced Energy Materials, Volume 14, Issue 34, September 13, 2024.
An Al‐based reducing agent lithium tri‐tert‐butoxy hydridoaluminate (LTBA) proposed as an electrolyte additive forms in‐situ an Al‐rich surface layer on Ni‐rich layered oxides. This protective layer reduces interfacial reactivity and improve stability, resulting in ≈90% capacity retention after 240 cycles (vs Li4Ti5O12) compared to only 68% without ...
Juan Forero‐Saboya, Ivan A. Moiseev, Marina‐Lamprini Vlara, Dominique Foix, Michael Deschamps, Artem M. Abakumov, Jean‐Marie Tarascon, Sathiya Mariyappan   +7 more
wiley   +1 more source

Stimuli‐Responsive Silica Silanol Conjugates: Strategic Nanoarchitectonics in Targeted Drug Delivery

Small, Volume 20, Issue 39, September 26, 2024.
The silica surface silanol chemistry and its conjugation to different cargos through stimuli‐responsive linkers are highly desired. This review elucidates silica's surface chemistry, types of silanols, silanol number and chemistry, chemical and physical identification, functionalization, and stimuli‐responsive for precise drug delivery systems ...
Shan Mohanan, Xinwei Guan, Mingtao Liang, Ajay Karakoti, Ajayan Vinu   +4 more
wiley   +1 more source