Related papers: Efficient hydrogen evolution reaction due to topol…
The ability to efficiently evolve hydrogen via electrocatalysis at low overpotentials holds tremendous promise for clean energy. Hydrogen evolution reaction (HER) can be easily achieved from water if a voltage above the thermodynamic…
Solar water splitting has received a lot of attention due to its high efficiency and clean energy production potential. Herein, based on the band alignment principle, the g-C3N4/TiO2-B(001) heterostructure is strategically designed, then a…
The search for highly efficient and low-cost catalysts is one of the main driving forces in catalytic chemistry. Current strategies for the catalyst design focus on increasing the number and activity of local catalytic sites, such as the…
Spin plays a key role in physical and chemical reactions, such as oxygen evolution and hydrogen evolution reactions (OER/HER); but the spin-activity correlation has remained unclear. Based on a transition metal (TM)-doped PtN2 monolayer…
The interacting SSH model provides an ideal ground to study the interplay between topologically insulating phases and electron-electron interactions. We study the polarization density as a topological invariant and provide an analytic…
Two-dimensional (2D) boron monolayers have been successfully synthesized on silver substrate very recently. Their potential application is thus of great significance. In this work, we explore the possibility of boron monolayers (BMs) as…
Topological quantum catalysts (TQCs), where metallic surface states from nontrivial band topology serve as the mechanism to favor heterogeneous catalysis processes, have been well demonstrated in three dimensional (3D) examples but have…
Su-Schrieffer-Heeger (SSH) model on two-dimensional square lattice exhibits a topological phase transition, which is related to the Zak phase determined by bulk band topology. The strong modulation of electron hopping causes nontrivial…
Half-Heusler (HH) phases (space group F43m, Clb) are increasingly gaining attention as promising thermoelectric materials in view of their thermal stability, scalability, and environmental benignity as well as efficient power output. Until…
We describe a three-dimensional crystalline topological insulator (TI) phase of matter that exhibits spontaneous polarization. This polarization results from the presence of (approximately) flat bands on the surface of such TIs. These flat…
The hydrogen evolution reaction (HER) is a key process in electrochemical water splitting. To lower the cost and environmental impact of this process, it is highly motivated to develop electrocatalysts with low or no content of noble…
The hydrogen evolution reaction (HER) in alkaline media suffers from sluggish kinetics but the origin of the pH-dependent activity remains debated. This study investigates the role of hydroxide ions (OH) in enhancing the alkaline HER at…
The Sabatier principle establishes a fundamental trade-off in heterogeneous electrocatalysis.In the hydrogen evolution reaction (HER), this trade-off is manifested by the coupling of Volmer step, which requires strong hydrogen adsorption,…
Platinum, to date, is the most widely applied electrocatalyst for hydrogen evolution reaction (HER) in acidic media. It is assumed to be a proton-blocking catalyst with only surface-limited adsorption of the reaction intermediates. Here, we…
Development of cost-effective hydrogen evolution reaction (HER) catalysts with outstanding catalytic activity, replacing cost-prohibitive noble metal-based catalysts, is critical for practical green hydrogen production. A popular strategy…
Topological nodal line (DNL) semimetals, formed by a closed loop of the inverted bands in the bulk, result in the nearly flat drumhead-like surface states with a high electronic density near the Fermi level. The high catalytic active sites…
The parity nonconservation effect on the radiative recombination of electrons with heavy hydrogenlike ions is studied. Calculations are performed for the recombination into the $2^1S_0$ state of helium-like thorium and gadolinium, where,…
In various topological phases, nontrivial states appear at the boundaries of the system. In this paper, we investigate anomalous dielectric response caused by such states caused by the pi Zak phase. First, by using the one-dimensional…
Materials with field-tunable polarization are of broad interest to condensed matter sciences and solid-state device technologies. Here, using hydrogen (H) donor doping, we modify the room temperature metallic phase of a perovskite nickelate…
A new model for the intermediate compound of the hydrogen evolution reaction (HER) is proposed, for the electrochemical reduction of hydrogen in the presence of bisulfate on platinum(111). The formation of this compound, a regular 2…