Zobrazeno 1 - 10
of 138
pro vyhledávání: '"Steele, Brad A."'
Autor:
Steele, Brad A.1 (AUTHOR), Bastea, Sorin1 (AUTHOR) bastea2@llnl.gov, Kuo, I-Feng W.1 (AUTHOR)
Publikováno v:
Scientific Reports. 11/11/2023, Vol. 13 Issue 1, p1-13. 13p.
First-principles crystal structure search is performed to predict novel rubidium poly-nitrogen materials at high pressure by varying the stoichiometry, i. e. relative quantities of the constituent rubidium and nitrogen atoms. Three compounds of high
Externí odkaz:
http://arxiv.org/abs/1711.10415
Autor:
Steele, Brad A., Oleynik, Ivan I.
Polynitrogen compounds have attracted great interest due to their potential applications as high energy density materials. Most recently, a rich variety of alkali polynitrogens (R_{x}N_{y}; R=Li, Na, and Cs) have been predicted to be stable at high p
Externí odkaz:
http://arxiv.org/abs/1710.09914
Autor:
Steele, Brad A., Oleynik, Ivan I.
Ternary C_{x}N_{y}O_{z} compounds are actively researched as novel high energy density and ultrahard materials. Although some synthesis work has been performed at ambient conditions, very little is known about the high pressure chemistry of of C_{x}N
Externí odkaz:
http://arxiv.org/abs/1710.03652
Tin sulfides SnxSy are important class of materials that are actively investigated as novel photovoltaic and water splitting materials. First-principles evolutionary crystal structure search is performed with the goal of constructing the complete pha
Externí odkaz:
http://arxiv.org/abs/1710.03642
SnxSey crystalline compounds consisting of Sn and Se atoms of varying composition are systematically investigated at pressures from 0 to 100 GPa using the first-principles evolutionary crystal structure search method based on density functional theor
Externí odkaz:
http://arxiv.org/abs/1709.07570
Autor:
Steele, Brad A., Oleynik, Ivan I.
Two new crystalline compounds, pentazole (N_{5}H) and ammonium pentazolate (NH_{4})(N_{5}), both featuring cyclo-{\rm N_{5}^{-}} are discovered using first principles evolutionary search of the nitrogen-rich portion of the hydro-nitrogen binary phase
Externí odkaz:
http://arxiv.org/abs/1702.04326
Autor:
Steele, Brad A., Stavrou, Elissaios, Crowhurst, Jonathan C., Zaug, Joseph M., Prakapenka, Vitali B., Oleynik, Ivan I.
The pentazolates, the last all-nitrogen members of the azole series, have been notoriously elusive for the last hundred years despite enormous efforts to make these compounds in either gas or condensed phases. Here we report a successful synthesis of
Externí odkaz:
http://arxiv.org/abs/1612.01918
Autor:
Chun, Mark, Lai, Olivier, Toomey, Douglas, Lu, Jessica, Service, Max, Baranec, Christoph, Thibault, Simon, Brousseau, Denis, Hayano, Yutaka, Oya, Shin, Santi, Shane, Kingery, Christopher, Loss, Keith, Gardiner, John, Steele, Brad
We present the integration status for `imaka, the ground-layer adaptive optics (GLAO) system on the University of Hawaii 2.2-meter telescope on Maunakea, Hawaii. This wide-field GLAO pathfinder system exploits Maunakea's highly confined ground layer
Externí odkaz:
http://arxiv.org/abs/1608.01804
Autor:
Steele, Brad A., Oleynik, Ivan I.
Sodium pentazolates NaN5 andNa2N5, new high energy density materials, are discovered during first principles crystal structure search for the compounds of varying amounts of elemental sodium and nitrogen. The pentazole anion N5- is stabilized in the
Externí odkaz:
http://arxiv.org/abs/1511.01879