Effects of metastability on hydrogen sorption in fluorine substituted hydrides

E.R. Pinatel; M. Corno; P. Ugliengo

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Effects of metastability on hydrogen sorption in fluorine substituted hydrides

机译：亚稳性对氟代氢化物中氢吸附的影响

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In this work ab initio calculations and Calphad modelling have been coupled to describe the effect of fluorine substitution on the thermodynamics of hydrogenation-dehydrogenation in simple hydrides (NaH, AlH_3 and CaH_2). These example systems have been used to discuss the conditions required for the formation of a stable hydride-fluoride solid solution necessary to obtain a reversible hydrogenation reaction.

机译：在这项工作中，从头算和Calphad模型已被耦合来描述氟取代对简单氢化物（NaH，AlH_3和CaH_2）中加氢-脱氢热力学的影响。这些示例系统已被用于讨论获得可逆氢化反应所必需的形成稳定的氢化物-氟化物固溶体所需的条件。

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《Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics》 |2014年第1期|共5页
作者
E.R. Pinatel; M. Corno; P. Ugliengo;
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正文语种 eng
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Thermodynamic modelling; Metal hydrides; Phase diagrams; Hydrogen absorbing materials; Hydrogen storage;

机译：热力学模型金属氢化物相图吸氢材料储氢;

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1. Effects of metastability on hydrogen sorption in fluorine substituted hydrides [J] . E.R. Pinatel, M. Corno, P. Ugliengo Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2014,第Suppla1期

机译：亚稳性对氟代氢化物中氢吸附的影响
2. Fluorine substituent effects on dihydrogen bonding of transition metal hydrides [J] . Heiko Jacobsen Physical chemistry chemical physics: PCCP . 2009,第33期

机译：氟取代基对过渡金属氢化物二氢键的影响
3. Effects of fluorination on the hydriding and electrochemical properties of a gas-atomized Zr-based hydrogen storage alloy [J] . S.S. Huang, H.J. Chuang, S.L.I. Chan Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2002,第0期

机译：氟化对气雾化Zr基储氢合金氢化和电化学性能的影响
4. Thermodynamic Tuning of Calcium Hydride by Fluorine Substitution [C] . Eugenio R. Pinatel, Line H. Rude, Marta Corno, Materials Research Society Meeting . 2013

机译：氟取代氢化钙的热力学调整
5. I. Stereochemistry of cyclopropane formation involving group (IV) organometallic complexes. II. Slower stoichiometric and faster catalytic reduction of aldehydes by the PPh(3) substituted hydroxycyclopentadienyl ruthenium hydride [2,5-Ph(2)-3,4-Tol(2)(eta(5)-C(4)COH)]Ru(CO)(PPh(3))H: A highly chemoselective catalyst for hydrogenation of aldehydes over ketones. [D] . Strotman, Neil Adham. 2005

机译：I.涉及（IV）族有机金属配合物的环丙烷形成的立体化学。二。由PPh（3）取代的羟基环戊二烯基氢化钌[2,5-Ph（2）-3,4-Tol（2）（eta（5）-C（4）COH）] Ru的化学计量较慢和较快的醛催化还原（CO）（PPh（3））H：一种高度化学选择性的催化剂，用于醛在酮上的氢化。
6. Contamination Effects on Improving the Hydrogenation/Dehydrogenation Kinetics of Binary Magnesium Hydride/Titanium Carbide Systems Prepared by Reactive Ball Milling [O] . M. Sherif El-Eskandarany, Ehab Shaban 2015

机译：反应球磨制备的二元氢化镁/碳化钛体系的污染对改善加氢/脱氢动力学的影响
7. Effects of metastability on hydrogen sorption in fluorine substituted hydrides [O] . E.R. Pinatel, M. Corno, P. Ugliengo, 2014

机译：常规性对氟取代氢气吸附性的影响
8. Effect of Group III A and IV A Element Substitutions (M) On the Hydrogen Dissociation Pressures of LaNi/sub 5-X/M/sub X/ Hydrides [R] . Mendelsohn, M. H., Gruen, D. M. 1979

机译：IIIa和IV族元素取代（m）对LaNi / sub 5-X / m / sub X / Hydrides的氢离解压力的影响

Effects of metastability on hydrogen sorption in fluorine substituted hydrides

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