69 citations · 229 across the 7 of their papers we have counts for
4 papers · 1 filter
Understanding the UV luminescence of zinc germanate: The role of native defects
Jaime Dolado, Ruth Martínez-Casado, Pedro Hidalgo +6
Achieving efficient and stable ultraviolet emission is a challenging goal in optoelectronic devices. Herein, we investigate the UV luminescence of zinc germanate Zn2GeO4 microwires…
Combined molecular dynamics and phase-field modelling of crack propagation in defective graphene
Arne Claus Hansen-Dörr, Lennart Wilkens, Alexander Croy +3
In this work, a combined modelling approach for crack propagation in defective graphene is presented. Molecular dynamics (MD) simulations are used to obtain material parameters (Yo…
Metamorphosis in Carbon Network: From Penta-Graphene to Biphenylene under Uniaxial Tension
Obaidur Rahaman, Bohayra Mortazavi, Arezoo Dianat +2
The power of polymorphism in carbon is vividly manifested by the numerous applications of carbon-based nano-materials. Ranging from environmental issues to biomedical applications,…
Ab initio study of element segregation and oxygen adsorption on PtPd and CoCr binary alloy surfaces
Arezoo Dianat, Janina Zimmermann, Nicola Seriani +3
The segregation behavior of the bimetallic alloys PtPd and CoCr in the case of bare surfaces and in the presence of an oxygen ad-layer has been studied by means of first-principles…