Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC)

Autor: Derk Joester, Saivenkataraman Jayaraman, Karen DeRocher, Wenhao Sun, Gerbrand Ceder, Michael L. Whittaker

Publikováno v: Advanced Functional Materials, vol 28, iss 2
Whittaker, ML; Sun, W; DeRocher, KA; Jayaraman, S; Ceder, G; & Joester, D. (2018). Structural Basis for Metastability in Amorphous Calcium Barium Carbonate (ACBC). Advanced Functional Materials, 28(2). doi: 10.1002/adfm.201704202. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/5n82c16f

Author(s): Whittaker, ML; Sun, W; DeRocher, KA; Jayaraman, S; Ceder, G; Joester, D | Abstract: Metastable amorphous precursors are emerging as valuable intermediates for the synthesis of materials with compositions and structures far from equilibrium

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3419a498016826e40a5b9e2f35e525fa
https://escholarship.org/uc/item/5n82c16f

Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries

Autor: Nav Nidhi Rajput, Gopalakrishnan Sai Gautam, William D. Richards, Gerbrand Ceder, Larry A. Curtiss, Saivenkataraman Jayaraman, Pieremanuele Canepa, Kristin A. Persson, Lei Cheng

Publikováno v: Energy and Environmental Science, vol 8, iss 12
Royal Society of Chemistry
Energy & Environmental Science, vol 8, iss 12
Canepa, P; Jayaraman, S; Cheng, L; Rajput, NN; Richards, WD; Gautam, GS; et al.(2015). Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries. Energy and Environmental Science, 8(12), 3718-3730. doi: 10.1039/c5ee02340h. UC Berkeley: Retrieved from: http://www.escholarship.org/uc/item/9sk025ms

Non-aqueous Mg-ion batteries offer a promising way to overcome safety, costs, and energy density limitations of state-of-the-art Li-ion battery technology. We present a rigorous analysis of the magnesium aluminum chloride complex (MACC) in tetrahydro

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5cc0c52a2357709685100f7c3e5a7eb9
https://doi.org/10.1039/c5ee02340h

Molecular Simulation of the Thermal and Transport Properties of Three Alkali Nitrate Salts

Autor: Aidan P. Thompson, O. Anatole von Lilienfeld, Edward J. Maginn, Saivenkataraman Jayaraman

Publikováno v: Industrial & Engineering Chemistry Research. 49:559-571

Thermodynamic and transport properties for nitrate salts containing lithium, sodium, and potassium cations were computed from molecular simulations. Densities for the liquid and crystal phases calculated from simulations were within 4% of the experim

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::17505ca8e48dacdef9ef1d9acfb63f9a
https://doi.org/10.1021/ie9007216

Use of Bismuth Chromate with Antimony Trisulphide in Delay Compositions

Autor: N. G. Swarge, Saivenkataraman Jayaraman, J. P. Agrawal, R. G. Sarawadekar

Publikováno v: Journal of Energetic Materials. 21:97-107

Antimony trisulphide is used with potassium perchlorate, barium chromate, and binder in delay compositions. The effect of substitution of barium chromate by bismuth chromate in the system barium chromate-antimony trisulphide-potassium perchlorate has

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::59c089ba0448706a15491d7ffb1e18c7
https://doi.org/10.1080/713845497

Molten salt eutectics from atomistic simulations

Autor: Saivenkataraman Jayaraman, Aidan P. Thompson, O. Anatole von Lilienfeld

Publikováno v: Physical Review E. 84

Despite their importance for solar thermal power applications, phase-diagrams of molten salt mixture heat transfer fluids (HTFs) are not readily accessible from first principles. We present a molecular dynamics scheme general enough to identify eutec

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df8da35a78232453d9c0ca2ba50eacac
https://doi.org/10.1103/physreve.84.030201