273 citations · 584 across the 19 of their papers we have counts for
4 papers · 1 filter
Subsurface Carbon-Induced Local Charge of Copper for On-Surface Displacement Reaction
Shaoshan Wang, Pengcheng Ding, Zhuo Li +8
Transition metal carbides have sparked unprecedented enthusiasm as high-performance catalysts in recent years. Still, the catalytic properties of copper (Cu) carbide remain unexplo…
On-Surface Decarboxylation Coupling Facilitated by Lock-to-Unlock Variation of Molecules upon the Reaction
Shaoshan Wang, Zhuo Li, Pengcheng Ding +10
On-surface synthesis (OSS) involving relatively high energy barriers remains challenging due to a typical dilemma: firm molecular anchor is required to prevent molecular desorption…
Describing non-Hermitian dynamics using a Generalized Three-Time NEGF for a Partition-free Molecular Junction with Electron-Phonon Coupling
Matthew A Lane, Lev Kantorovich
In this paper we develop the Non-Equilibrium Green's Function (NEGF) formalism for a dissipative molecular junction that consists of a central molecular system with one-dimensional…
Quantum interference and the time-dependent radiation of nanojunctions
Michael Ridley, Lev Kantorovich, Robert van Leeuwen +1
Using the recently developed time-dependent Landauer-Büttiker formalism and Jefimenko's retarded solutions to the Maxwell equations, we show how to compute the time-dependent elect…