Related papers: Electrostatic reaction inhibition in nanoparticle …
We propose a scheme for generating high-mass quantum superposition states of an optically pre-cooled, levitated nanoparticle through electron diffraction at its sub-nanometer crystal lattice. When a single electron undergoes Bragg…
We investigate the influence of a stochastically fluctuating step-barrier potential on bimolecular reaction rates by exact analytical theory and stochastic simulations. We demonstrate that the system exhibits a new resonant reaction…
Following the lifespan of optical excitations from their creation to decay into photons is crucial in understanding materials optical properties. Macroscopically, techniques such as the photoluminescence excitation spectroscopy provide…
We study unbinding of multivalent cationic ligands from oppositely charged polymeric binding sites sparsely grafted on a flat neutral substrate. Our molecular dynamics (MD) simulations are suggested by single-molecule studies of protein-DNA…
We solve the quasiclassical problem of tunneling through an external potential barrier in a dense plasma, where the tunneling particles undergo simultaneous collisions with other particles in thermodynamic equilibrium. Under such conditions…
We have investigated the spontaneous decay rate of an excited molecule placed near a circular aperture in a metal film of finite thickness and finite conductivity. We have considered the metal film both suspended freely in vacuum and lying…
Calculations for electron capture rates on nuclei with atomic numbers between $Z=20$ and $Z=52$ are performed in a self-consistent finite-temperature covariant energy density functional theory within the relativistic quasiparticle…
We present extensive Molecular Dynamics simulation results for the structure, static and dynamical response of a droplet of 1000 soft spheres carrying extended dipoles and confined to spherical cavities of radii $R=2.5$, 3, and 4 nm…
Three analytic results are proposed for a linear form of the modified Poisson-Boltzmann equation in the theory of bulk electrolytes. Comparison is also made with the mean spherical approximation results. The linear theories predict a…
We introduce a model of three-species two-particle diffusion-limited reactions A+B -> A or B, B+C -> B or C, and C+A -> C or A, with three persistence parameters (survival probabilities in reaction) of the hopping particle. We consider…
We present analytical solutions for the electrokinetics at a charged surface with both non-zero Stern-layer conductance and finite chemical reaction rates. We have recently studied the same system numerically [Werkhoven {\em et al.}, Phys.…
Atoms and molecules often react at different rates depending on their internal quantum states. Thus, controlling which internal states are populated can be used to manipulate the reactivity and can lead to a more detailed understanding of…
In this study, we achieved magnetic control of reactive scattering in an ultracold mixture of $^{23}$Na atoms and $^{23}$Na$^{6}$Li molecules. In most molecular collisions, particles react or are lost near short range with unity…
Bubble nucleation at catalyst surfaces plays a critical role in the operation of electrolyzers. However, achieving controlled bubble nucleation remains challenging due to limited understanding of the underlying mechanisms. Here, we present…
Charged particles accelerated by electromagnetic fields emit radiation, which must, by the conservation of momentum, exert a recoil on the emitting particle. The force of this recoil, known as radiation reaction, strongly affects the…
Electrogenerated gas nanobubbles strongly influence the performance of electrochemical energy-conversion systems, yet their nucleation and early evolution remain poorly understood due to limitations of existing experimental and…
At the long-wavelength approximation, $E1$ transitions are forbidden between isospin-zero states. Hence $E1$ radiative capture is strongly hindered in reactions involving $N = Z$ nuclei but the $E1$ astrophysical $S$ factor may remain…
Ab initio calculations of the electronic energy loss of ions moving in aluminum crystal are presented, within linear-response theory, from a realistic description of the one-electron band-structure and a full treatment of the dynamical…
Configuration transitions of individual molecules and atoms on surfaces are traditionally described with energy barriers and attempt rates using an Arrhenius law. This approach yields consistent energy barrier values, but also attempt rates…
As interest in nanomaterials grows, ab initio simulations play a crucial role in designing electrochemical catalysts. Electrochemical reactions depend on electrode potential, highlighting the importance of the grand canonical…