152 citations · 310 across the 7 of their papers we have counts for
6 papers · 1 filter
Novel Rubidium Poly-Nitrogen Materials at High Pressure
Ashley S. Williams, Brad A. Steele, van I. Oleynik
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…
Novel Potassium Polynitrides at High Pressures
Brad A. Steele, Ivan I. Oleynik
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_…
Ternary inorganic compounds containing carbon, nitrogen, and oxygen at high pressures
Brad A. Steele, Ivan I. Oleynik
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 condition…
Ambient and high pressure phases of tin sulfide compounds
Joseph M. Gonzalez, Kien Nguyen-Cong, Brad A. Steele +1
Tin sulfides SnxSy are important class of materials that are actively investigated as novel photovoltaic and water splitting materials. First-principles evolutionary crystal struct…
Tin-selenium compounds at ambient and high pressures
Kien Nguyen-Cong, Joseph M. Gonzalez, Brad A. Steele +1
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 evolutio…
Pentazole and Ammonium Pentazolate: Crystalline Hydro-Nitrogens at High Pressure
Brad A. Steele, Ivan I. Oleynik
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…