2 papers
cond-mat.mtrl-sci2023
Breaking the H2 chemical bond in a crystalline environment
Miriam Marqués, Miriam Pena Alvarez, Miguel Martinez-Canales +1
Through density functional theory and molecular dynamics calculations, we have analysed various metal polyhydrides to understand whether hydrogen is present in its molecular or ato…
cond-mat.mtrl-sci2017
Evaluating arbitrary strain configurations and doping in graphene with Raman spectroscopy
Niclas S. Mueller, Sebastian Heeg, Miriam Peña Alvarez +13
Raman spectroscopy is a powerful tool for characterizing the local properties of graphene. Here, we introduce a method for evaluating unknown strain configurations and simultaneous…