64 citations · 82 across the 5 of their papers we have counts for
5 papers
Nanomechanics of a Hydrogen Molecule Suspended between Two Equally Charged Tips
W. Schattke, T. Frederiksen, M. A. Van Hove +1
Geometric configuration and energy of a hydrogen molecule centered between two point-shaped tips of equal charge are calculated with the variational quantum Monte-Carlo (QMC) metho…
Interlocking mechanism between molecular gears attached to surfaces
Rundong Zhao, Yan-Ling Zhao, Fei Qi +3
While molecular machines play an increasingly significant role in nanoscience research and applications, there remains a shortage of investigations and understanding of the molecul…
Intramolecular Torque, an Indicator of the Internal Rotation Direction of Rotor Molecules and Similar Systems
Rui-Qin Zhang, Yan-Ling Zhao, Fei Qi +2
Torque is ubiquitous in many molecular systems, including collisions, chemical reactions, vibrations, electronic excitations and especially rotor molecules. We present a straightfo…
Manipulating Magnetism at Organic/Ferromagnetic Interfaces by Fullerene-Induced Surface Reconstruction
R. Pang, X. Shi, M. A. van Hove
Fullerenes have several advantages as potential materials for organic spintronics. Through a theoretical first-principles study, we report that fullerene C adsorption can in…
Differential Photoelectron Holography: A New Approach for Three-Dimensional Atomic Imaging
S. Omori, Y. Nihei, E. Rotenberg +6
We propose differential holography as a method to overcome the long-standing forward-scattering problem in photoelectron holography and related techniques for the three-dimensional…