105 citations · 477 across the 10 of their papers we have counts for
12 papers
Exploring Mechanisms of Hydration and Carbonation of MgO and Mg(OH)2 in Reactive Magnesium Oxide-based Cements
Mina Ghane Gardeh, Andrey A. Kistanov, Hoang Nguyen +3
Reactive magnesium oxide (MgO)-based cement (RMC) can play a key role in carbon capture processes. However, knowledge on the driving forces that control the degree of carbonation a…
A First-Principles Study on the Adsorption of Small Molecules on Arsenene: Comparison of Oxidation Kinetics in Arsenene, Antimonene, Phosphorene and InSe
Andrey A. Kistanov, Salavat Kh. Khadiullin, Sergey V. Dmitriev +1
Arsenene, a new group V two-dimensional (2D) semiconducting material beyond phosphorene and antimonene, has recently gained an increasing attention owning to its various interestin…
First-Principles Prediction of Two-Dimensional B3C2P3 and B2C4P2: Structural Stability, Fundamental Properties, and Renewable Energy Applications
Andrey A. Kistanov, Stepan A. Shcherbinin, Svetlana V. Ustiuzhanina +4
The existence of two novel hybrid two-dimensional (2D) monolayers, 2D B3C2P3 and 2D B2C4P2, has been predicted based on the density functional theory calculations. It has been show…
Point Defects in Two-Dimensional γ-Phosphorus Carbide
Andrey A. Kistanov, Vladimir R. Nikitenko, Oleg V. Prezhdo
Defects are inevitably present in two-dimensional (2D) materials and usually govern their various properties. Here a comprehensive density functional theory-based investigation of…
Incorporation of Si atoms into CrCoNiFe high-entropy alloy: a DFT study
S. Assa Aravindh, Andrey A. Kistanov, Matti Alatalo +3
Density functional theory based computational study has been conducted in order to investigate the effect of substitution of Cr and Co components by Si on the structure, mechanical…
2D Black Phosphorus Carbide: Rippling and Formation of Nanotubes
Stepan A. Shcherbinin, Kun Zhou, Sergey V. Dmitriev +3
The allotropes of a new layered material, phosphorus carbide (PC), have been predicted recently and a few of these predicted structures have already been successfully fabricated. H…