相关论文: Surface Van Hove Singularity Enabled Efficient Cat…

Starting from a tight-binding model on the kagome lattice near the van Hove filling, the superconducting (SC) properties are investigated self-consistently using the Bogoliubov-de Gennes equation with the consideration of the inequivalent…

We present a theory for the van Hove singularity (VHS) in the tunneling density of states (TDOS) of disordered multichannel quantum wires, in particular multi-wall carbon nanotubes. We assume close-by gates which screen off…

Recently, topological quantum materials have emerged as a promising electrocatalyst for hydrogen evolution reaction (HER). However, most of their performance largely lags behind noble metals such as benchmark platinum (Pt). In this work, a…

Electrons on Kagome lattice exhibit a wealth of features including Dirac points, van Hove singularities and flatbands. When the Fermi level is placed at the van Hove saddle point, the Fermi surface is perfectly nested and a rich variety of…

We theoretically investigate the development of unconventional superconductivity in the Sb(111) thin film when its Fermi level is tuned to near type-II Van Hove singularities (VHS), which locate at non-time-reversal invariant momenta. Via…

Van der Waals heterostructures (vdWHs) combine different layered materials with properties of interest,1 such as two-dimensional (2D) semimetals, semiconductors, magnets or superconductors. These heterostructures provide the possibility of…

Competing electronic instabilities lie at the heart of emergent phenomena in quantum materials. In low-dimensional metals, Fermi-surface nesting can drive charge density wave (CDW) formation through a Peierls-like mechanism, while in…

Recent experiments on Kagome metals AV$_3$Sb$_5$ (A=Cs,Rb,K) indicated spontaneous time-reversal symmetry breaking in the charge density wave state in the absence of static magnetization. The loop current order (LCO) is proposed as its…

Twist, as a simple and unique degree of freedom, could lead to enormous novel quantum phenomena in bilayer graphene. A small rotation angle introduces low-energy van Hove singularities (VHSs) approaching the Fermi level, which result in…

We use multi-scale modeling to analyze laser-induced fluorescence (LIF) measurements of the CO oxidation reaction over Pd(100) at near-ambient reaction conditions. Integrating density-functional theory based kinetic Monte Carlo simulations…

Electrochemical energy and substance conversion devices involve complex electrode processes, characterized by multiple charge transfer steps, competing pathways, and various intermediates. Such complexity makes it challenging to enhance…

In recent years due to improvements in calculation methods and increased computer power, it has become possible to perform first-principles investigations for ``simple'' chemical reactions at surfaces. We have carried out such studies for…

Thermoelectric materials, long explored for energy harvesting and thermal sensing, convert heat directly into electrical signals. Extending their application to the terahertz (THz) frequency range opens opportunities for low-noise,…

We found that a surface state induced by hydrogenation on the surface of SrTiO$_{3}$(001) (STO) did not obey the rigid band model, which was confirmed by in situ electrical resistivity measurements in ultrahigh vacuum. With exposure of…

We theoretically study the two-dimensional metal that is coupled to critical magnons and features van Hove singularities on the Fermi surface. When there is only translationally invariant SYK-liked Yukawa interaction, van Hove points…

Shockley surface states (SS) have attracted much attention due to their role in various physical phenomena occurring at surfaces. It is also clear from experiments that they can play an important role in electron transport. However,…

BiVO3F is a promising material used in solar energy conversion systems. Here, we first report the calculated structural, electronic, and surface reaction properties using PBE and hybrid density functionals. We found it is a direct band gap…

Graphene band renormalization at the proximity of the van Hove singularity (VHS) has been investigated by angle-resolved photoemission spectroscopy (ARPES) on the Li-doped quasi-freestanding graphene on the cobalt (0001) surface. The…

We introduce a simple model of heterogeneous catalysis on a disordered surface which consists of two types of randomly distributed sites with different adsorption rates. Disorder can create a reactive steady state in situations where the…

Itinerant-electron metamagnetism is investigated within the Hubbard model for various lattices having van Hove singularities (vHS) in the electronic spectrum: face-centered cubic and orthorhombic lattices. The remarkable itinerant-electron…