Results 41 to 50 of about 879 (156)
Electronic and Lattice Dynamical Properties of Ti2SiB MAX Phase
, 2018 The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations.
Gencer, Aysenur, Surucu, Gokhan
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Energy Science &Engineering, Volume 12, Issue 5, Page 1934-1968, May 2024.Hydrogen energy production and storage challenges. Abstract The rapidly growing global need for environmentally friendly energy solutions has inspired extensive research and development efforts aimed at harnessing the potential of hydrogen energy.
Feras Alasali +5 more
wiley +1 more source
Theoretical study of C60 as catalyst for dehydrogenation in LiBH4
, 2011 Complex light metal hydrides possess many properties which make them attractive as a storage medium for hydrogen, but typically, catalysts are required to lower the hydrogen desorption temperature and to facilitate hydrogen uptake in the form of a ...
Ahuja, Rajeev +5 more
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Investigation of Pd nanoparticles supported on zeolites for hydrogen production from formic acid dehydrogenation [PDF]
, 2014 Catalysts based on palladium nanoparticles supported on different zeolites (BETA, ZSM-5 and Y) were prepared and their catalytic performance in formic acid dehydrogenation was studied.
Cazorla-Amorós, Diego +5 more
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Sniffing Out the Sustainable Future: The Renewability Revolution in Fragrance Chemistry**
Chemistry – A European Journal, Volume 30, Issue 19, April 2, 2024.What will the Sustainable Future smell like? The way into a resource‐friendly economy will have different impact on the various perfumery families, but it will not be an avenue to all‐natural fragrances as these have the highest carbon footprint. In this report, you can find out what a world with 100 % renewable and biodegradable fragrances smells like,
Franziska Elterlein +2 more
wiley +1 more source
, 2018 The choice that a solid system "makes" when adopting a crystal structure (stable or metastable) is ultimately governed by the interactions between electrons forming chemical bonds.
Dobrosavljević, Vladimir +4 more
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High-throughput search of ternary chalcogenides for p-type transparent electrodes [PDF]
, 2017 Delafossite crystals are fascinating ternary oxides that have demonstrated transparent conductivity and ambipolar doping. Here we use a high-throughput approach based on density functional theory to find delafossite and related layered phases of ...
Botti, S. +5 more
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Reversible Hydrogen Storage in Solid‐State Reaction Derived Core‐Shell NaBH4@Ni Nanocubes
Advanced Energy and Sustainability Research, Volume 5, Issue 3, March 2024.For the first time, vanadium‐doped core–shell NaBH4@Ni nanocubes are prepared via a novel solid‐state method. The core–shell materials exhibited superior hydrogen release and uptake performances compared to unmodified NaBH4. Importantly, the improved reversibility is attributed to the unique core–shell structure and presence of boride species, which ...
Muhammad Saad Salman +1 more
wiley +1 more source
Heat Capacity Function, Enthalpy of Formation and Absolute Entropy of Mg(AlH4)2
ChemPhysChem, Volume 25, Issue 2, January 15, 2024.Thermodynamic data for Mg(AlH4)2, reported in this study, were used to evaluate and update estimation procedures for heat capacity functions, enthalpies of formation and absolute entropies of alanates. Abstract In this investigation, we set out first to characterize the thermodynamics of Mg(AlH4)2 and secondly to use the determined data to reevaluate ...
Franziska Habermann +7 more
wiley +1 more source
, 2016 Aluminum borohydride (Al(BH$_4$)$_3$) is an example of a promising hydrogen storage material with exceptional hydrogen densities by weight and volume and a low hydrogen desorption temperature.
Harrison, D., Thonhauser, T.
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