The nearly free electron states and the conductivity limited by electron–phonon scattering of an OH-terminated MXene material, a case study of the Hf₂C(OH)₂ monolayer

Abstract

To reduce the electron-phonon scattering is always desirable for realizing the high conductivity of actual materials at room temperature. It is seemingly feasible in some OH-terminated MXenes such as the...

Exploring efficient hydrogen evolution electrocatalysts of nonmetal atom doped Mo2CO2 MXenes by first-principles screening

“…MXene has shown excellent catalytic, electronic and magnetic properties, and has a range of practical applications, such as electrocatalysis, [15][16][17] lithium-ion batteries, [18][19][20] electromagnetic shielding 21 and electronic devices. 22,23 In particular, for electrocatalytic hydrogen evolution, the high specific surface area, excellent electronic conductivity and adjustable surface termination of MXene materials make them a promising candidate for low-cost HER catalysts. [24][25][26] However, it is reported that the key catalytic performances of pure MXenes are still far from ideal, in the aspects of both H adsorption energy and the reaction rate.…”