相关论文: Breaking the Sabatier Principle by Dynamic Adsorpt…
Optical dynamics in van der Waals heterobilayers is of fundamental scientific and practical interest. Based on a time-dependent adiabatic GW approach, we discover a new many-electron (excitonic) channel for converting photoexcited…
In surface catalysis, the adsorption of carbon monoxide on transition-metal electrodes represents the prototype of strong chemisorption. Notwithstanding significant changes in the molecular orbitals of adsorbed CO, spectroscopic experiments…
In all standard force field-based simulations of organic, bio-molecules, polymers; the torsion angle based Hamiltonian has been an indispensable term to set up molecular simulation. Torsion often termed as a dihedral angle, the coordinate…
Surface Van Hove singularity (SVHS), defined as the surface states near the Fermi level (EF) in low-dimensional systems, triggers exciting physical phenomena distinct from bulk. We herein explore theoretically the potential role of SVHS in…
Contact-rich robot dynamics are hybrid: a single observation can match several latent states and contact regimes (free, impact, stick--slip). A standard amortized filter that places no probability on a feasible contact transition will…
Hamilton's principle plays a central role in fluid mechanics as a fundamental tool for deriving governing equations, analyzing conservation laws, and designing structure-preserving numerical schemes. However, its classical formulation is…
Two-dimensional materials supported by single atom catalysis (SACs) are foreseen to replace platinum for large-scale industrial scalability of sustainable hydrogen generation. Here, a series of metal (Al, Sc, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn)…
Hydrodynamics is a theory of long-range excitations controlled by equations of motion that encode the conservation of a set of currents (energy, momentum, charge, etc.) associated with explicitly realized global symmetries. If a system…
When the hydrogen atom moves, the proton current generates a magnetic field which interacts with the hydrogen electron. A simple analyze shows that this interaction between the hydrogen momentum and the electron is of order of…
This article solves two major tasks that frequently arise in the theory of electron collisions with a target molecular cation. First, it extends the energy-dependent frame transformation treatment(EDFT), which is needed to map fixed-nuclei…
Understanding the dehydrogenation of transition metal oxide surfaces under electrochemical potential is critical to the control of important chemical processes such as the oxygen evolution reaction (OER). Using first principles…
An interaction of a double layer electron system realized in an AlGaAs-GaAs-AlGaAs heterostructure with nonuniform elastic modes localized in the GaAs layer is considered. The dependence of the coupling constant on the ratio between the…
Decoupling charge and heat transport is essential for optimizing thermoelectric materials. Strategies to inhibit lattice-driven heat transport, however, also compromise carrier mobility, limiting the performance of most thermoelectrics,…
The ratio between the shear viscosity and the entropy $\eta/s$ is considered a universal measure of the strength of interactions in quantum systems. This quantity was conjectured to have a universal lower bound $(1/4\pi)\hbar/k_{B}$, which…
Disorder and defective coordination in the catalytic plane are crucial for enhancing the Hydrogen Evolution Reaction (HER) on two-dimensional catalysts. Amorphous materials are disordered, making them catalytically adaptive for many…
Advanced materials for electrocatalytic and photoelectrochemical water splitting are central to the area of renewable energy. Here, we developed a solvothermal synthesis of MoS2 nanoparticles selectively on reduced graphene oxide (RGO)…
We investigate aspects of non-equilibrium dynamics of strongly coupled field theories within holography. We establish a hydrodynamic description for anomalous quantum field theories subject to a strong external field for the first time in…
Electron hydrodynamics arises when momentum-relaxing scattering processes are slow compared to momentum-conserving ones. While the microscopic details necessary to satisfy this condition are material-specific, experimentally accessible…
The dynamic hyperpolarizability of a particle bound by the one-dimensional $\delta$-function potential is obtained in closed form. On the first step, we analyze the singular structure of the non-linear response function as given by the…
Two-dimensional (2D) monolayer pristine MoS$_2$ transition metal dichalcogenide (TMD) is the most studied material because of its promising aspects as nonprecious electrocatalyst for hydrogen evolution reaction (HER). Previous studies have…