Prediction of structured void-containing 1T-PtTe<sub>2</sub> monolayer with potential catalytic activity for hydrogen evolution reaction

Prediction of structured void-containing 1T-PtTe₂ monolayer with potential catalytic activity for hydrogen evolution reaction

Lei Bao¹, Zhang Yu-Yang^{1, 2}, Du Shi-Xuan^{1, 2, 3, †}

Energy band structures and HER catalytic performance of Pt₄Te₇. (a) The energy band structure of monolayer Pt₄Te₇, which show a band gap of 28 meV at HSE06 level. The inset shows the Brillouin zone with high-symmetry points. (b) The Gibbs free-energy profile of HER for monolayer Pt₄Te₇.