Theoretical study on the Cs/Cs-O adsorbed graphene/semiconductor heterojunction anode for thermionic converters  

作　　者：Weiting Sun Haoran Xu Hao Qiu Gang Xiao 

机构地区：[1]Key Laboratory of Clean Energy and Carbon Neutrality of Zhejiang Province,Zhejiang University,Hangzhou,310027,Zhejiang,China [2]State Key Laboratory of Clean Energy Utilization,Zhejiang University,38 Zheda Road,Hangzhou,310027,Zhejiang,China [3]School of Energy and Power Engineering,Shandong University,Jinan,250061,Shandong,China

出　　处：《Waste Disposal and Sustainable Energy》2024年第3期439-450,共12页废弃物处置与可持续能源（英文）

基　　金：supported by the National Natural Science Foundation of China(No.52325605);the Zhejiang Provincial Natural Science Foundation(No.LR20E060001);the Fundamental Research Funds for the Central Universities(No.2022ZFJH004).

摘　　要：Graphene/semiconductor heterojunction anodes can significantly enhance the output voltage by the photovoltaic effect.However,a significant challenge arises from the high intrinsic work function of heterojunction surfaces,which limits efficient electron emission.In this study,we explored the potential of low work function materials modified by Cs/Cs-O adsorption as anodes for thermionic(TI)converters through first principles calculations.The results demonstrate that the work functions of the graphene/MoS_(2) and the graphene/n-type Si surfaces with only Cs coating can decrease to 1.48 eV and 2.46 eV,respectively.The multiple Cs-O atoms co-adsorption enhances the dipole moment,resulting in a further reduction of the work function of the graphene/MoS_(2) surface to 1.25 eV.In addition,the impact of work function on the performance of TI converters is revealed by using concentrated solar energy as heat source.The highest conversion efficiency achieves 15.25%for the Cs-4O:Gr/MoS_(2) anode.This study establishes a robust foundation for further advancement of the TI converters with graphene/semiconductor heterojunction anodes.

关 键 词：Thermionic converters Graphene/semiconductor heterojunction Work function Surface adsorption 

分 类 号：TQ127.11[化学工程—无机化工]