Yazar "Stampfl, Catherine" için listeleme
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Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms
Bafekry, Asadollah; Stampfl, Catherine; Akgenç, Berna; Ghergherehchi, Mitra (Royal Soc Chemistry, 2020)In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that ... -
Embedding of atoms into the nanopore sites of the C6N6 and C6N8 porous carbon nitride monolayers with tunable electronic properties
Bafekry, Asadollah; Stampfl, Catherine; Akgenç, Berna; Mortazavi, Bohayra; Ghergherehchi, Mitra; Ch V Nguyen (Royal Soc Chemistry, 2020)Using first-principles calculations, we study the effect of embedding various atoms into the nanopore sites of both C6N6 and C6N8 monolayers. Our results indicate that the embedded atoms significantly affect the electronic ... -
Oxygen Vacancies in the Single Layer of Ti(2)CO(2)MXene: Effects of Gating Voltage, Mechanical Strain, and Atomic Impurities
Bafekry, Asadollah; Nguyen, Chuong Van; Stampfl, Catherine; Akgenç, Berna; Ghergherehchi, Mitra (Wiley-V C H Verlag Gmbh, 2020)Herein, using first-principles calculations the structural and electronic properties of the Ti(2)CO(2)MXene monolayer with and without oxygen vacancies are systematically investigated with different defect concentrations ...
