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cond-mat.mtrl-sci2025
Prediction of Novel Li-AgII-F Compounds using Evolutionary Algorithms
Katarzyna Kuder, Wojciech Grochala
This work provides a theoretical exploration of the thermodynamic stability and magnetic behaviour of previously unknown ternary Li AgII F compounds. Convex-hull analysis shows tha…
cond-mat.mtrl-sci2022★ 1 cited
Structural phase transitions and magnetic superexchange in MIAgIIF3 perovskites at high pressure
Łukasz Wolański, Marvin Metzelaars, Jan van Leusen +2
Pressure induced phase transitions of MIAgIIF3 perovskites where M = K, Rb, Cs, have been predicted theoretically for the first time for pressures up to 100 GPa. The sequence of ph…
cond-mat.mtrl-sci2019★ 10 cited
Environmental Effects on the Charge Transfer Properties of Graphene Quantum Dot Based Interfaces
Silvio Osella, Stefan Knippenberg
Graphene quantum dots (GQD) are interesting materials due to the confined sizes which allow to exploit their optoelectronic properties, especially when they interface with organic…