High-performance hydrogen evolution at a MoSe2–Mo2C seamless heterojunction enabled by efficient charge transfer,Journal of Materials Chemistry A

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High-performance hydrogen evolution at a MoSe2–Mo2C seamless heterojunction enabled by efficient charge transfer
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2020/03/11 , DOI: 10.1039/c9ta12714c
Jing Li _{1,

2,

3,

4,

5} , Wenting Hong _{1,

2,

3,

4,

5} , Chuanyong Jian _{1,

2,

3,

4,

5} , Qian Cai _{1,

2,

3,

4,

5} , Xu He _{1,

2,

3,

4,

5} , Wei Liu _{1,

2,

3,

4,

5}

Affiliation

Transition metal dichalcogenides (TMDs), such as molybdenum diselenide (MoSe₂), have poor alkaline hydrogen evolution activities due to their unfavorable hydrogen adsorption and dissociation properties. In this work, we report a Mo₂C/MoSe₂ hybrid catalyst seamlessly grown on Mo foil. The Mo₂C/MoSe₂/Mo electrode exhibits outstanding activity for the hydrogen evolution reaction (HER) with a low overpotential of 51 mV at 10 mA cm⁻² in 1 M KOH, significantly outperforming the performances of its MoSe₂ and Mo₂C counterparts and most reported TMD electrocatalysts in alkaline solution. Moreover, the Mo₂C/MoSe₂/Mo electrode also possesses good catalytic HER performance in acid. Density functional theory (DFT) calculations reveal that metal-induced gap states formed in the interface region of Mo₂C and MoSe₂ can make the interfacial semiconducting MoSe₂ transform into metallic MoSe₂. The transformation is beneficial to speeding up charge transfer between the interfaces, promoting H atom adsorption and desorption kinetics, and therefore enhancing the catalytic performance.

中文翻译：

通过有效的电荷转移，在MoSe2-Mo2C无缝异质结处产生高性能的氢

过渡金属二硫化碳（TMDs），例如二硒化钼（MoSe ₂），由于其不利的氢吸附和解离特性而具有较差的碱性氢释放活性。在这项工作中，我们报告了在Mo箔上无缝生长的Mo ₂ C / MoSe ₂杂化催化剂。Mo ₂ C / MoSe ₂ / Mo电极在1 M KOH中的10 mA cm ^-2下具有51 mV的低过电势，对氢气析出反应（HER）表现出出色的活性，明显优于MoSe ₂和Mo ₂的性能。C同行和大多数报道碱性溶液中的TMD电催化剂。此外，Mo ₂ C / MoSe₂ / Mo电极在酸中也具有良好的催化HER性能。密度泛函理论（DFT）计算表明，在Mo₂ C和MoSe₂的界面区域中形成的金属诱导的间隙态可以使界面半导体MoSe₂转变为金属MoSe₂。该转变有利于加速界面之间的电荷转移，促进H原子的吸附和解吸动力学，从而增强催化性能。

更新日期：2020-04-08

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