1T’ Re_xMo_(1?x)S_2–2H MoS_2 Lateral Heterojunction for Enhanced Hydrogen Evolution Reaction Performance

Huong Thi Thanh Nguyen; Laud Anim Adofo; Sang-Hyeok YangHyung-Jin KimSoo Ho ChoiBalakrishnan KirubasankarByeong Wook ChoAndrew Ben-SmithJoohoon KangYoung-Min KimSoo Min KimYoung-Kyu HanKi Kang Kim

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1T’ Re_xMo_(1?x)S_2–2H MoS_2 Lateral Heterojunction for Enhanced Hydrogen Evolution Reaction Performance

机译：1T’ Re_xMo_(1?x)S_2–2H MoS_2 Lateral Heterojunction for Enhanced Hydrogen Evolution Reaction Performance

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The imperfect interfaces between 2D transition metal dichalcogenides (TMDs)are suitable for boosting the hydrogen evolution reaction (HER) during waterelectrolysis. Here, the improved catalytic activity at the spatial heterojunctionbetween 1T’ Re_xMo_(1?x)S_2 and 2H MoS_2 is reported. Atomic-scale electronmicroscopy confirms that the heterojunction is constructed by an in-situtwo-step growth process through chemical vapor deposition. Electrochemicalmicrocell measurements demonstrate that the 1T’ Re_xMo_(1?x)S_2–2H MoS_2 lateralheterojunction exhibits the best HER catalytic performance among all TMDcatalysts with an overpotential of ≈84 mV at 10 mA cm~(?2) current density and58 mV dec~(?1) Tafel slope. Kelvin probe force microscopy shows ≈40 meV as thework function difference between 2H MoS_2 and 1T’ Re_xMo_(1?x)S_2, facilitating theelectron transfer from 2H MoS_2 to 1T’ Re_xMo_(1?x)S_2 at the heterojunction. Firstprinciplescalculations reveal that Mo-rich heterojunctions with high structuralstability are formed, and the HER performance is improved with the combinationof increased density of states near the Fermi level and optimal ΔG_(H*) as lowas 0.07 eV. Those synergetic effects with many electrons and active sites withoptimal ΔG_(H*) improve HER performance at the heterojunction. These resultsprovide new insights into understanding the role of the heterojunction for HER.

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《Advanced functional materials》 |2023年第3期|2209572.1-2209572.10|共10页
作者
Huong Thi Thanh Nguyen; Laud Anim Adofo; Sang-Hyeok YangHyung-Jin KimSoo Ho ChoiBalakrishnan KirubasankarByeong Wook ChoAndrew Ben-SmithJoohoon KangYoung-Min KimSoo Min KimYoung-Kyu HanKi Kang Kim;
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作者单位

Department of Energy ScienceSungkyunkwan UniversitySuwon 16419, Republic of Korea;

Department of Energy and Materials EngineeringDongguk UniversitySeoul 04620, Republic of Korea;

Center for Integrated Nanostructure Physics (CINAP)Institute for Basic Science (IBS)Sungkyunkwan UniversitySuwon 16419, Republic of KoreaDepartment of Energy ScienceSungkyunkwan UniversitySuwon 16419, Republic of Korea, Department of ChemistrySookmyung Women's UniversitySeoul 140742, Republic of KoreaDepartment of Energy ScienceSungkyunkwan UniversitySuwon 16419, Republic of Korea, Department of Energy and Materials EngineeringDongguk UniversitySeoul 04620, Republic of KoreaSchool of Advanced Materials Science and EngineeringSungkyunkwan UniversitySuwon 16419, Republic of Korea, KIST-SKKU Carbon-Neutral Research CenterSungkyunkwan UniversitySuwon 16419, Republic of KoreaDepartment of Energy ScienceSungkyunkwan UniversitySuwon 16419, Republic of Korea, Center for Integrated Nanostructure Physics (CINAP)Institute for Basic Science (IBS)Sungkyunkwan UniversitySuwon 16419, Republic of KoreaDepartment of ChemistrySookmyung Women's UniversitySeoul 140742, Republic of Korea;

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first-principles calculations; heterophase; hydrogen evolution reaction; lateral heterostructures; transition metal dichalcogenides;

1T’ Re_xMo_(1?x)S_2–2H MoS_2 Lateral Heterojunction for Enhanced Hydrogen Evolution Reaction Performance

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