Related papers: Quantum Proton Tunneling in Multi-electron/-proton…
Neutron Compton Scattering measurements presented here of the momentum distribution of hydrogen in $KH_2PO_4$ (KDP) just above and well below the ferroelectric transition temperature show clearly that the proton is coherent over both sites…
Experimental data on quantum phase transitions in two-dimensional systems (superconductor-insulator, metal-insulator, and transitions under conditions of integer quantum Hall effect) are critically analyzed.
Tunneling of two particles in synchronous and asynchronous regimes is studied in the framework of dissipative quantum tunneling. The critical temperature T_c corresponding to a bifurcation of the underbarrier trajectory is determined. The…
Quantum phase transitions have been the subject of intense investigations in the last two decades [1]. Among other problems, these phase transitions are relevant in the study of heavy fermion systems, high temperature superconductors and…
Hydrogen has emerged as a promising energy source, holding the key to achieve low-carbon and sustainable mobility. However, its applications are still limited by modest conversion efficiency in the electrocatalytic oxygen reduction reaction…
We observe individual tunnel events of a single electron between a quantum dot and a reservoir, using a nearby quantum point contact (QPC) as a charge meter. The QPC is capacitively coupled to the dot, and the QPC conductance changes by…
One of the most important topics in molecular biology is the genetic stability of DNA. One threat to this stability is proton transfer along the hydrogen bonds of DNA that could lead to tautomerisation, hence creating point mutations. We…
We investigate the impact of the quantum effects of protons on the electronic structure of high-pressure H$_3$S, a benchmark hydrogen-rich superconductor with a critical temperature ($T_c$) exceeding 200 K. Using Nuclear-Electronic Orbital…
We study the desorption mechanism of hydrogen isotopes from graphene surface using first-principles calculations, with focus on the effects of quantum tunneling. At low temperatures, quantum tunneling plays a dominant role in the desorption…
We investigate the quantum phase transition (QPT) in the XXZ central spin model, which can be described as a spin-1/2 particle coupled to N bath spins. In general, the QPT is supposed to occur only in the thermodynamical limit. In contrast,…
A Quantum Phase Transition (QPT) in a simple model that describes the coexistence of atoms and diatomic molecules is studied. The model, that is briefly discussed, presents a second order ground state phase transition in the thermodynamic…
We predict a new electron pair-tunneling (PT) resonance in non-linear transport through quantum dots with positive charging energies exceeding the broadening due to thermal and quantum fluctuations. The PT resonance shows up in the…
The structural, dielectric, and thermodynamic properties of the hydrogen-bonded ferroelectric crystal potassium dihydrogen phosphate ($\mathbf{KH_2PO_4}$), KDP for short, differ significantly from those of DKDP ($\mathbf{KD_2PO_4}$). It is…
In the present study, the nuclear quantum effects (NQEs) on proton diffusivity in oxides were evaluated by molecular dynamics (MD) simulations with the quantum thermal bath (QTB) based on the Langevin dynamics. We employed the proton…
Polarization effects are included exactly in a model for a quantum dot in close proximity to a planar interface. Efficient incorporation of this potential into the Schr\"{o}dinger equation is utilized to map out the influence of the image…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
Electronically excited atoms or molecules in an environment are often subject to interatomic/intermolecular Coulombic decay (ICD) and/or electron transfer mediated decay (ETMD) mechanisms. A few of the numerous variables that can impact…
The proton-coupled electron transfer (PCET) mechanism of the oxygen reduction reaction (ORR) is a long-standing enigma in electrocatalysis.
Reliable detection of single electron tunneling in quantum dots (QD) is paramount to use this category of device for quantum information processing. Here, we report charge sensing in a degenerately phosphorus-doped silicon QD by means of a…
The present letter describes an atomic scale investigation of a chemical reaction for selective hydrogen production. This clean fuel is a sustainable energy source. Because electron transfer is the key to such reactions, accurate methods…