30 citations · 36 across the 2 of their papers we have counts for
4 papers
Disintegration of graphene nanoribbons in large electrostatic fields
Haiming Huang, Zhibing Li, H. J. Kreuzer +1
The deformation and disintegration of a graphene nanoribbon under external electrostatic fields are investigated by first principle quantum mechanical calculations to establish its…
Coherent field emission image of graphene predicted with a microscopic theory
Zhibing Li, Ningsheng Xu, H. J. Kreuzer
Electrons in the mono-layer atomic sheet of graphene have a long coherence length of the order of micrometers. We will show that this coherence is transmitted into the vacuum via e…
A three-state model with loop entropy for the over-stretching transition of DNA
Thomas R. Einert, Douglas B. Staple, Hans-Juergen Kreuzer +1
We introduce a three-state model for a single DNA chain under tension that distinguishes between B-DNA, S-DNA and M (molten or denatured) segments and at the same time correctly ac…
Towards a first-principles theory of surface thermodynamics and kinetics
C. Stampfl, H. J. Kreuzer, S. H. Payne +2
Understanding of the complex behavior of particles at surfaces requires detailed knowledge of both macroscopic and microscopic processes that take place; also certain processes dep…