AUTHOR=Shen Zhongliang , Ren Kai , Zheng Ruxing , Huang Zhaoming , Cui Zhen , Zheng Zijun , Wang Li 

TITLE=The Thermal and Electronic Properties of the Lateral Janus MoSSe/WSSe Heterostructure

JOURNAL=Frontiers in Materials

VOLUME=Volume 9 - 2022

YEAR=2022

URL=https://www.frontiersin.org/journals/materials/articles/10.3389/fmats.2022.838648

DOI=10.3389/fmats.2022.838648

ISSN=2296-8016

ABSTRACT=Two-dimensional materials have opened up extensive applications for traditional materials. In particular, heterostructure can further create fantastic performances. In this investigation, the lateral heterostructure is constructed using Janus MoSSe and WSSe monolayers with armchair and zigzag interfaces. Performing first-principles calculations and molecular dynamics simulations method, the thermal stability and the semiconductor characteristic with type-II band structure to separate the photogenerated charges of such Janus MoSSe/WSSe heterostructure are present, which suggests the potential application acting as photocatalyst for water splitting. Importantly, Asymmetric interface of the Janus MoSSe/WSSe heterostructure can result a natural bending, which limited the heat flow transport. While the smaller heat flow and the interfacial thermal resistance of the lateral MoSSe/WSSe heterostructure with zigzag edge interface is mainly due to suppressed acoustic branches. These structural symmetry and interface dependent properties shows the future applications in photovoltaic and thermoelectric devices.