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A new 3D band diagram is proposed, explicitly showing MoS2 conduction and valence band edges for stacked and in-plane directions. Wavelength-dependent photocurrent measurements corroborate the diagram and confirm type-I band alignment. Time-resolved photocurrent reveals fast and slow relaxation regimes attributed to charge trap states.",{"@graph":69,"@context":122},[70,84,105],{"@type":71,"itemListElement":72},"BreadcrumbList",[73,77,79,82],{"item":74,"name":75,"@type":76,"position":8},"https://docshare.wps.com","Home","ListItem",{"item":78,"name":9,"@type":76,"position":14},"https://docshare.wps.com/document/",{"item":80,"name":40,"@type":76,"position":81},"https://docshare.wps.com/document/research-report/",3,{"item":83,"name":65,"@type":76,"position":19},"https://docshare.wps.com/document/3d-band-diagram-and-photoexcitation-of-2d-3d-semiconductor-heterojunctions/665327/",{"url":83,"name":65,"@type":85,"image":86,"author":91,"headline":65,"publisher":94,"fileFormat":97,"inLanguage":63,"description":67,"dateModified":98,"datePublished":99,"encodingFormat":97,"isAccessibleForFree":100,"interactionStatistic":101},"DigitalDocument",{"url":87,"@type":88,"width":89,"height":90},"https://docshare.wps.com/thumbnails/3d-band-diagram-and-photoexcitation-of-2d-3d-semiconductor-heterojunctions/665327.png","ImageObject",300,407,{"name":92,"@type":93},"Kurz","Person",{"url":74,"name":95,"@type":96},"DocShare","Organization","application/pdf","2026-10-30","2026-10-29",true,{"@type":102,"interactionType":103,"userInteractionCount":19},"InteractionCounter",{"@type":104},"ViewAction",{"@type":106,"mainEntity":107},"FAQPage",[108,114,118],{"name":109,"@type":110,"acceptedAnswer":111},"What new concept does the paper introduce for the MoS2-Si heterojunction?","Question",{"text":112,"@type":113},"It proposes a new 3D band diagram for the MoS2 (n-type monolayer) and Si (p-type bulk) heterojunction, drawing the MoS2 band edges for both stacked and in-plane directions.","Answer",{"name":115,"@type":110,"acceptedAnswer":116},"How is the band alignment determined?",{"text":117,"@type":113},"Wavelength-dependent photocurrent measurements fully support the proposed band diagram and show type-I alignment, where the MoS2 conduction (valence) band edge lies higher (lower) than the corresponding Si edge.",{"name":119,"@type":110,"acceptedAnswer":120},"What causes the two relaxation time scales observed in time-resolved photocurrent?",{"text":121,"@type":113},"Time-resolved photocurrent measurements reveal fast and slow relaxation regimes, discussed as resulting from charge trapping by defect states induced by the oxide separating MoS2 from Si near a contact.","https://schema.org",{"og:url":83,"og:type":124,"og:title":65,"og:site_name":95,"og:description":67},"article",{"robots":126,"canonical":83},"index,follow",{"doc_id":128,"site_id":62},665327,1793298212,{"code":4,"msg":5,"data":131},{"doc_id":128,"user_id":132,"nickname":92,"user_avatar":133,"doc_module":4,"category_id":39,"category_name":40,"doc_title":65,"doc_description":67,"doc_content":134,"file_id":135,"file_url":136,"file_type":137,"file_size":138,"view_count":19,"is_deleted":4,"is_public":8,"is_downloadable":8,"audit_status":8,"page_count":46,"language":139,"language_code":63,"site_id":62,"html_lang":63,"table_of_contents":140,"faqs":141,"seo_title":142,"seo_description":67,"update_tm":129,"read_time":31},2336478945635,"https://ap-avatar.wpscdn.com/davatar_6f874abed73319feea01a86fa6f0fab8","3D Band Diagram and Photoexcitation of 2D-3D Semiconductor Heterojunctions  \nBo Li1,‡, Gang Shi1,‡, Sidong Lei1,‡, Yongmin He1,2, Weilu Gao3,4, Yongji Gong5, Gonglan Ye1, Wu Zhou6, Kunttal Keyshar1, Ji Hao 7, Pei Dong1, Liehui Ge1, Jun Lou1, Junichiro Kono1,3,4,*, Robert Vajtai1,*, Pulickel M. Ajayan1,*  \n‡ These authors contributed equally to this work  \n* [Email:](Email: kono@rice.edu)[ ](Email: kono@rice.edu)[kono@rice.edu](Email: kono@rice.edu), [robert.vajtai@rice.edu](robert.vajtai@rice.edu), [ajayan@rice.edu](ajayan@rice.edu)  \n1Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005, U. S.A., 2 School of Physical Science and Technology, Lanzhou University, Lanzhou, Gansu, 730000, P. R. China, 3Department of Electrical and Computer Engineering, Rice University, Houston, Texas 77005, U. S.A., 4Department of Physics and Astronomy, Rice University, Houston, Texas 77005, U. S.A., 5Department of Chemistry, Rice University, Houston, Texas 77005, U. S.A., 6Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, U. S.A., 7Department of Mechanical and Industrial Engineering, Northeastern University, Boston, MA 02115, U. S.A.  \nKEYWORDS. MoS2-Si heterojuncdtion, band diagram, exciton relaxation, charge generation ABSTRACTS  \nThe emergence of a rich variety of two-dimensional (2D) layered semiconductor materials has enabled the creation of atomically thin heterojunction devices. Junctions between atomically thin 2D layers and 3D bulk semiconductors can lead to junctions that are fundamentally electronically different from the covalently bonded conventional semiconductor junctions. Here we propose a new 3D band diagram for the heterojunction formed between n-type monolayer MoS2 and p-type Si, in which the conduction and valence band-edges of the MoS2 monolayer are drawn for both stacked and in-plane directions. This new band diagram helps visualize the flow of charge carriers inside the device in a 3D manner. Our detailed wavelength-dependent photocurrent measurements fully support the diagrams and unambiguously show that the band alignment is type-I for this 2D-3D heterojunction. Photogenerated electron-hole pairs in the atomically thin monolayer are separated and driven by an external bias and control the “on/off”states of the junction photodetector device. Two photoresponse regimes with fast and slow relaxation are also revealed in time-resolved photocurrent measurements, suggesting the important role played by charge trap states.  \nIntroduction  \nThe rise of two-dimensional (2D) layered semiconductors has brought about new opportunities of fundamental research in physics, chemistry, and materials science as well as potential applications in optoelectronics and electronics 1-22. A 2D atomic layer can be easily deposited on a three-dimensional (3D) crystal, forming a van der Waals (vdW) heterojunction23- 31. The vdW nature of heterointerfaces allows one to combine lattice-mismatched materials, lifting conventional limitations of epitaxial growth of covalently bonded III-V heterostructures, significantly increasing the variety of materials. At the same time, new questions and challenges arise in describing electronic states, charge generation, transport, and doping in device structures based on vdW heterostructures. For example, to what degree, can one apply the usual effectivemass, envelope-function formalism to atomically thin layers? How should one treat charge transfer that would normally lead to band bending and depletion layers in ordinary p-n junctions? Most notably, due to the atomically thin nature of 2D materials, no spatial region exists to accommodate the formation of a depletion layer in the vertical direction of the stacked structure2. Currently, no established procedures exist for drawing band diagrams for vdW heterojunctions ina realistic and quantitative manner. In most previous studies, 2D monolayers were simply treated as bulk layer","cbCaismENVOGrjEl","https://ap.wps.com/l/cbCaismENVOGrjEl","pdf",1785105,"English","# Introduction\n## 2D-3D vdW heterojunction context\n## Band diagram challenge in vdW systems\n# Fabrication and optoelectronic measurements\n## MoS2-Si photodetector fabrication\n## Photocurrent mapping and wavelength/bias dependence\n# Time-resolved photocurrent and relaxation regimes","[{\"question\":\"What new concept does the paper introduce for the MoS2-Si heterojunction?\",\"answer\":\"It proposes a new 3D band diagram for the MoS2 (n-type monolayer) and Si (p-type bulk) heterojunction, drawing the MoS2 band edges for both stacked and in-plane directions.\"},{\"question\":\"How is the band alignment determined?\",\"answer\":\"Wavelength-dependent photocurrent measurements fully support the proposed band diagram and show type-I alignment, where the MoS2 conduction (valence) band edge lies higher (lower) than the corresponding Si edge.\"},{\"question\":\"What causes the two relaxation time scales observed in time-resolved photocurrent?\",\"answer\":\"Time-resolved photocurrent measurements reveal fast and slow relaxation regimes, discussed as resulting from charge trapping by defect states induced by the oxide separating MoS2 from Si near a contact.\"}]","3D Band Diagram and Photoexcitation of 2D-3D Semiconductor Heterojunctions | PDF"]