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Absence of proton tunneling during the hydrogen bond symmetrization in -AlOOH
Florian Trybel, Thomas Meier, Biao Wang +1
-AlOOH is of significant crystallochemical interest due to a subtle structural transition near 10 GPa from a to a structure, the nature and origin of hydrogen di…
High-Pressure Na3(N2)4, Ca3(N2)4, Sr3(N2)4, and Ba(N2)3 Featuring Nitrogen Dimers with Non-Integer Charges and Anion-Driven Metallicity
Dominique Laniel, Bjoern Winkler, Timofey Fedotenko +12
Charged nitrogen dimers are ubiquitous in high-pressure binary metal-nitrogen systems. They are known to possess integer formal charges x varying from one through four. Here, we pr…
Proton dynamics in high-pressure ice-VII from density functional theory
Florian Trybel, Michael Cosacchi, Thomas Meier +2
Using a density-functional-theory-based approach, we explore the symmetrization and proton dynamics in ice-VII, for which recent high-pressure NMR experiments indicate significant…
Nuclear Spin Crossover in Dense Molecular Hydrogen
Thomas Meier, Dominique Laniel, Miriam Pena-Alvarez +6
The laws of quantum mechanics are often tested against the behaviour of the lightest element in the periodic table, hydrogen. One of the most striking properties of molecular hydro…
Metallic Hydrogen Sublattice and Proton Mobility in Copper Hydride at High Pressure
Thomas Meier, Florian Trybel, Giacomo Criniti +9
Atomic and electronic structures of Cu2H and CuH have been investigated by high pressure NMR spectroscopy, X-ray diffraction and ab-initio calculations. Metallic Cu2H was synthesiz…
Pressure induced Hydrogen-Hydrogen interaction in metallic FeH revealed by NMR
Thomas Meier, Florian Trybel, Saiana Khandarkhaeva +8
Knowledge of the behavior of hydrogen in metal hydrides is the key for understanding their electronic properties. So far, no experimental methods exist to access these properties b…