Decoding ripple formation in single-layer transition metal chalcogenide lateral heterojunctions towards novel optoelectronic properties  

作　　者：Haitao Yu Mingzi Sun Xiao Wu Zhiguo Xing Jiahao Kou Shipeng Liang Bolong Huang Zhong Lin Wang 

机构地区：[1]CAS Center for Excellence in Nanoscience,Beijing Institute of Nanoenergy and Nanosystems,Chinese Academy of Sciences,Beijing 100083,China [2]School of Nanoscience and Technology,University of Chinese Academy of Sciences,Beijing 100049,China [3]Department of Applied Biology and Chemical Technology,The Hong Kong Polytechnic University,Hong Kong 999077,China [4]Research Centre for Carbon-Strategic Catalysis,The Hong Kong Polytechnic University,Hong Kong 999077,China [5]School of Materials Science and Engineering,Georgia Institute of Technology,Atlanta,Georgia 30332,USA

出　　处：《Nano Research》2025年第2期443-454,共12页纳米研究(英文版)

基　　金：The authors gratefully acknowledge the support from Research Grant Council of Hong Kong(No.15304023);National Natural Science Foundation of China/Research Grant Council of Hong Kong Joint Research Scheme(No.N_PolyU502/21);the funding for Projects of Strategic Importance of The Hong Kong Polytechnic University(No.1-ZE2V);Shenzhen Fundamental Research Scheme General Program(No.JCYJ20220531090807017);Natural Science Foundation of Guangdong Province(No.2023A1515012219).

摘　　要：For the ultrathin two-dimensional(2D)materials and lateral heterojunction,the formation of unstable but elastic ripples is commonly observed but is rarely studied,especially their correlations with different material properties.To fil the knowledge gap in this field,thiswork systematicallyexplores transitionmetal dichalcogenides(TMDCs)in a single component and lateral heterojunction with a series of ripple structures.The ripple formation energy is quantitatively classified into the initial elastic strain stage and fracture threshold stage based on Fermi-like distribution.Electronic structures reveal that the formation of ripples is accompanied by electron accumulations from flat surfaces to ripples.By comparing the unilateral,decaying,and bilateral ripples in 2D lateral heterojunction,we confirm that Fermi-like distribution is still valid regardless of the shape of the ripples,where the thermodynamic and electronic properties are modulated by ripples-induced uneven strain.The main features of optical properties are not affected while the sensitivity to ripple-induced strains is distinguished.More importantly,the phonon properties further demonstrate the potential of ripples in promoting thermal conductivity,which are strongly correlated with the optical branch of anion vibrations.This work provides important theoretical guidance for the design and optimization of high-performance optoelectronic devices based on TMDC heterojunctions.

关 键 词：transition metal calcogenide lateral heterojunctions RIPPLES optoelectronic properties two-dimensional(2D)materials 

分 类 号：TG1[金属学及工艺—金属学]