نتایج جستجو برای: alkaline earth metal

تعداد نتایج: 326097  

2016
Olivier Charles Gagné Frank Christopher Hawthorne

Bond-length distributions have been examined for 55 configurations of alkali-metal ions and 29 configurations of alkaline-earth-metal ions bonded to oxygen, for 4859 coordination polyhedra and 38 594 bond distances (alkali metals), and for 3038 coordination polyhedra and 24 487 bond distances (alkaline-earth metals). Bond lengths generally show a positively skewed Gaussian distribution that ori...

Different Aluminum: alkaline earth metal atomic weight ratios effects on structure transformations in alanates nanopowders were studied. Changes in crystal structures from alane to alanates by increasing alkaline earth metals dopants in the mixture with slight changes in crystal structures from rhombohedral centered – trigonal (alane) to trigonal (magnesium alanate), and monoclinic (calcium ala...

2013
Rubin Gulaboski Ivan Bogeski Valentin Mirčeski Stephanie Saul Bastian Pasieka Haleh H. Haeri Marina Stefova Jasmina Petreska Stanoeva Saša Mitrev Markus Hoth Reinhard Kappl

Benzoquinones (BQ) have important functions in many biological processes. In alkaline environments, BQs can be hydroxylated at quinoid ring proton positions. Very little is known about the chemical reaction leading to these structural transformations as well as about the properties of the obtained hydroxyl benzoquinones. We analyzed the behavior of the naturally occurring 2,6-dimethoxy-1,4-benz...

2016
Doory Kim Han-Eol Kim Chang-Hong Kim Mohammad Shahid

Recent improvements to SrAl2O4:Eu2+, Dy3+ phosphors have enabled the use of luminescent hosts with a stable crystal structure and high physical and chemical stability, thus overcoming the bottleneck in the applicability of ZnS:Cu phosphors. However, enhancement of afterglow lifetime and brightness in SrAl2O4:Eu2+, Dy3+ phosphors remains a challenging task. Here, we have improved the afterglow c...

Journal: :Physical chemistry chemical physics : PCCP 2015
Milena C C Wobbe Martijn A Zwijnenburg

The nature and magnitude of the optical gaps of rocksalt alkaline earth (MgO, CaO, SrO, MgS, MgSe) and transition metal chalcogenide (CdO, PbS) nanoparticles are studied using time-dependent density functional theory (TD-DFT) calculations on (MX)32 nanoparticles. We demonstrate, just as we previously showed for MgO, that TD-DFT calculations on rocksalt nanoparticles require the use of hybrid ex...

2017
Alexander Rehmer Kerstin Scheurell Gudrun Scholz Erhard Kemnitz

The fluorolytic sol-gel synthesis for binary metal fluorides (AlF₃, CaF₂, MgF₂) has been extended to ternary and quaternary alkaline earth metal fluorides (CaAlF₅, Ca₂AlF₇, LiMgAlF₆). The formation and crystallization of nanoscopic ternary CaAlF₅ and Ca₂AlF₇ sols in ethanol were studied by 19F liquid and solid state NMR (nuclear magnetic resonance) spectroscopy, as well as transmission electron...

Journal: :The Journal of chemical physics 2009
J S Hummelshøj D D Landis J Voss T Jiang A Tekin N Bork M Dułak J J Mortensen L Adamska J Andersin J D Baran G D Barmparis F Bell A L Bezanilla J Bjork M E Björketun F Bleken F Buchter M Bürkle P D Burton B B Buus A Calborean F Calle-Vallejo S Casolo B D Chandler D H Chi I Czekaj S Datta A Datye A DeLaRiva V Despoja S Dobrin M Engelund L Ferrighi P Frondelius Q Fu A Fuentes J Fürst A García-Fuente J Gavnholt R Goeke S Gudmundsdottir K D Hammond H A Hansen D Hibbitts E Hobi J G Howalt S L Hruby A Huth L Isaeva J Jelic I J T Jensen K A Kacprzak A Kelkkanen D Kelsey D S Kesanakurthi J Kleis P J Klüpfel I Konstantinov R Korytar P Koskinen C Krishna E Kunkes A H Larsen J M G Lastra H Lin O Lopez-Acevedo M Mantega J I Martínez I N Mesa D J Mowbray J S G Mýrdal Y Natanzon A Nistor T Olsen H Park L S Pedroza V Petzold C Plaisance J A Rasmussen H Ren M Rizzi A S Ronco C Rostgaard S Saadi L A Salguero E J G Santos A L Schoenhalz J Shen M Smedemand O J Stausholm-Møller M Stibius M Strange H B Su B Temel A Toftelund V Tripkovic M Vanin V Viswanathan A Vojvodic S Wang J Wellendorff K S Thygesen J Rossmeisl T Bligaard K W Jacobsen J K Nørskov T Vegge

We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M(1)); and 1 alkali, alkaline earth or 3d/4d transition metal atom (M(2)) plus two to five (BH(4))(-) groups, i.e., M(1)M(2)(BH(4))(2-5), using a number ...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید