77 citations · 268 across the 14 of their papers we have counts for
15 papers
Spin Qubit Properties of the Boron-Vacancy/Carbon Defect in the Two-Dimensional Hexagonal Boron Nitride
Sergey Stolbov, Marisol Alcántara Ortigoza
Spin qubit defects in two-dimensional materials have a number of advantages over those in three-dimensional hosts including simpler technologies for the defect creation and control…
First principles studies of the size and shape effects on reactivity of the Se modified Ru nanoparticles
Sebastian Zuluaga, Sergey Stolbov
We present here the results of our density-functional-theory-based calculations of the electronic and geometric structures and energetics of Se and O adsorption on Ru 93- and 105-a…
Sulfur doping effects on the electronic and geometric structures of graphitic carbon nitride photocatalyst: insights from first principles
Sergey Stolbov, Sebastian Zuluaga
We present here results of our first principles studies of the sulfur doping effects on the electronic and geometric structures of graphitic carbon nitride (g-C3N4). Using the Ab i…
Nature of selenium sub-monolayer effect on the oxygen electro-reduction reaction activity of Ru(0001)
Sergey Stolbov
I present here the results of the first principles studies of the adsorption energetics of the intermediates of the oxygen electro-reduction reaction (ORR) on the Se modified Ru(00…
Factors controlling the energetics of the oxygen reduction reaction on the Pd-Co electro-catalysts: Insight from first principles
Sebastian Zuluaga, Sergey Stolbov
We report here results of our density functional theory based computational studies of the electronic structure of the Pd-Co alloy electrocatalysts and energetics of the oxygen red…
High CO tolerance of Pt/Ru nano-catalyst: insight from first principles calculation
Sergey Stolbov, Marisol Alcantara Ortigoza, Radoslav Adzic +1
Density functional theory based calculations of the energetics of adsorption and diffusion of CO on Pt islets and on the Ru(0001) substrate show that CO has the lowest adsorption e…