273 citations · 584 across the 19 of their papers we have counts for
19 papers
The Role of Electron Correlations in Chirality Induced Spin Selectivity of Molecular Junctions
A. Konidena, J. Fransson, L. Kantorovich
The Non-Equilibrium Green's Function (NEGF) approach is applied to a chain of Hubbard atoms in a helical geometry sandwiched between two leads, one of which is magnetic, to assess…
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…
Efficient choice of coloured noises in stochastic dynamics of open quantum systems
Daniel Matos, Matthew A Lane, Ian J Ford +1
The Stochastic Liouville-von Neumann (SLN) equation describes the dynamics of an open quantum system reduced density matrix coupled to a non-Markovian harmonic environment. The int…