Zobrazeno 1 - 10
of 82
pro vyhledávání: '"Sopiha, Kostiantyn V."'
Autor:
Larsen, Jes K., Sopiha, Kostiantyn V., Persson, Clas, Platzer-Björkman, Charlotte, Edoff, Marika
The chalcopyrite Cu(In,Ga)S${_2}$ has gained renewed interest in recent years due to the potential application in tandem solar cells. In this contribution, a combined theoretical and experimental approach is applied to investigate stable and metastab
Externí odkaz:
http://arxiv.org/abs/2206.03559
Herein, we demonstrate that first-principles calculations can be used for mapping electronic properties of two-dimensional (2d) materials with respect to non-uniform strain. By investigating four representative single-layer 2d compounds with differen
Externí odkaz:
http://arxiv.org/abs/1910.11964
First-principles calculations have become a powerful tool to exclude the Edisonian approach in search of novel 2d materials. However, no universal first-principles criteria to examine the realizability of hypothetical 2d materials have been establish
Externí odkaz:
http://arxiv.org/abs/1901.07202
Owing to fully occupied orbitals, noble gases are considered to be chemically inert and to have limited effect on materials properties under standard conditions. However, using first-principles calculations, we demonstrate herein that the insertion o
Externí odkaz:
http://arxiv.org/abs/1901.00187
By using first-principles approach, the interaction of CO${_2}$ with (001) surfaces of six cubic ABO${_3}$ perovskites (A = Ba, Sr and B = Ti, Zr, Hf) is studied in detail. We show that CO${_2}$ adsorption results in the formation of highly stable CO
Externí odkaz:
http://arxiv.org/abs/1806.09711
Controlling a thickness dependence of electronic properties for two-dimensional (2d) materials is among primary goals for their large-scale applications. Herein, employing a first-principles computational approach, we predict that Si interaction with
Externí odkaz:
http://arxiv.org/abs/1710.07923
CO2 chemisorption on SrTiO3(001) surfaces is studied using ab initio calculations in order to establish new chemical sensing mechanisms. We find that CO2 adsorption opens the material band gap, however, while the adsorption on the TiO2-terminated sur
Externí odkaz:
http://arxiv.org/abs/1705.05250
Autor:
Larsen, Jes K.1 (AUTHOR) jes.larsen@angstrom.uu.se, Sopiha, Kostiantyn V.1 (AUTHOR) kostiantyn.sopiha@angstrom.uu.se, Persson, Clas2,3 (AUTHOR), Platzer‐Björkman, Charlotte1 (AUTHOR), Edoff, Marika1 (AUTHOR)
Publikováno v:
Advanced Science. 8/15/2022, Vol. 9 Issue 23, p1-15. 15p.
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