306 citations · 1k across the 16 of their papers we have counts for
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Photo-induced electronic excitations drive polymerization of carbon monoxide: A first-principles study
Rasool Ahmad, Jonathan C. Crowhurst, Stanimir A. Bonev
Under pressure, carbon monoxide (CO) transforms into a polymer that can be recovered to ambient conditions. While this transformation can occur without additional stimuli, experime…
Prediction of an alternative route to polymeric carbon dioxide: A metastable energetic material
Reetam Paul, Jonathan C. Crowhurst, Stanimir A. Bonev
The use of pressure to obtain new materials that can be recovered under ambient conditions is a central problem in high-pressure physics. Despite decades of research, this goal has…
The - Transition in Solid Oxygen
Sabri F. Elatresh, V. Askarpour, S. A. Bonev
The structure of solid oxygen has been studied at pressures from 50 to 140~GPa using static structure search methods and molecular dynamics simulations with density functional theo…
A deep Aurum reservoir: Stable compounds of two bulk-immiscible metals under pressure
Adebayo A. Adeleke, Stanimir A. Bonev, Christine J. Wu +2
The Earth's crust is known to be depleted of gold, among other slightly heavy noble metals transported by magma from the Earth's mantle to the crust. The bulk silicate Earth (BSE)…
High-pressure lithium as an elemental topological semimetal
S. F. Elatresh, Zhimou Zhou, N. W. Ashcroft +3
Topological semimetals generally contain heavy elements. Using density-functional theoretic calculations, we predict that three dense lithium polymorphs in the pressure range 200--…
Polymerization of sodium-doped liquid nitrogen under pressure
Marc M. E. Cormier, Stanimir A. Bonev
First-principles molecular dynamics (FPMD) simulations are performed on 6 and 12% Na in dense liquid N. A detailed description of structural and electronic properties leading to an…