相关论文: Efficient hydrogen evolution reaction due to topol…
Strong long-range hoppings up to third nearest neighbors may induce a topological phase transition in one-dimensional chains. Unlike the Su-Schrieffer-Heeger model, this transition from trivial to topological phase occurs with the emergence…
Recently, 2D JTMDs with asymmetric electronic structures are inviting an intense research interest in modern science and technology. Using the first principles-based periodic hybrid dispersion-corrected Density Functional Theory (DFT-D)…
Enhancement of minor ions such as $^3$He and heavy ions in flare-associated solar energetic particle (SEP) events remains one of the major puzzles in heliophysics. In this work, we use 3D hybrid simulations (kinetic protons and fluid…
The electroweak phase transition in GUT inspired $SO(5)\times U(1) \times SU(3)$ gauge-Higgs unification is shown to be weakly first order and occurs at $T = T_c^{\rm EW} \sim 163\,$GeV, which is very similar to the behavior in the standard…
A hierarchical ordering is demonstrated for the periodic orbits in a strongly coupled multidimensional Hamiltonian system, namely the hydrogen atom in crossed electric and magnetic fields. It mirrors the hierarchy of broken resonant tori…
Topological phonon polaritons (TPhPs) are highly protected and localized edge modes that are capable of achieving a strong confinement of electromagnetic waves and immune to impurities and disorder. Here we realize TPhPs by constructing…
Electrocatalytic hydrogen evolution reaction (HER) in alkaline media is a promising electrochemical energy conversion strategy. Ruthenium (Ru) is an efficient catalyst with a desirable cost for HER, however, the sluggish H2O dissociation…
We analyze the basic structural units of simple reconstructions of the (111) surface of SrTiO3 using density functional calculations. The prime focus is to answer three questions: what is the most appropriate functional to use; how accurate…
Single crystalline bismuth (Bi) is known to have a peculiar electronic structure which is very close to the topological phase transition. The modification of the surface states of Bi depending on the temperature are revealed by…
Topological surface states (TSS) in the prototypical topological insulator (TI) Bi2Se3 are frequently characterized using optical probes, but electron-hole interactions and their effect on surface localization and optical response of the…
In three-dimensional topological insulators (TIs), the nontrivial topology in their electronic bands casts a gapless state on their solid surfaces, using which dissipationless TI edge devices based on the quantum anomalous Hall (QAH) effect…
Hydrogen electrocatalysis (HER/HOR) exhibits an anomalous, non-Nernstian pH dependence that has motivated competing mechanistic narratives yet still lacks a unified, transferable, and quantitatively predictive description across conditions.…
With the increase in the complexity of the materials used in various sophisticated electronic devices, recycling of E-waste is becoming challenging. In the present study, we have converted thermoelectric (TE) waste into functional HER…
Topological physics provides novel insights for designing functional photonic devices, such as magnetic-free optical diodes, which are important in optical engineering and quantum information processing. Past efforts mostly focus on the…
Several recent experiments on three-dimensional topological insulators claim to observe a large charge current-induced non-equilibrium ensemble spin polarization of electrons in the helical surface state. We present a comprehensive…
Electrons bound to shallow donors in GaAs have orbital energy levels analogous to those of the hydrogen atom. The polarization selection rules for optical transitions between the states analogous to the 1s and 2p states of hydrogen in a…
We prospose a novel heterostructure system consisting of compounds with chemical formula A$_2$Mo$_3$O$_8$ (A, B : Zn,Mg,Cd) that can host a two dimensional electron/hole gas (2DEG/2DHG). We study spontaneous polarization and piezoelectric…
Ab initio evolutionary structure searches coupled with quasiharmonic calculations predict that the insulating Na hP4 phase transitions to a novel P63/m phase between 200 GPa at 150 K, and 350 GPa at 1900 K. P63/m Na is a topological…
Twisted van der Waals (vdW) bilayers can support tunable surface/hyperbolic phonon polariton (S/HPhP) depending on the interlayer twist angle. S/HPhPs can be thermally excited and significantly modify the thermal near field. A photonic…
Electric field-induced studies, including phase transition and polarization hysteresis, for ferroelectric HfO2 at the atomic scale are critical since they can largely affect its application in ferroelectric and dielectric devices. However,…