In this work, we study theoretically the structural, electronic and transport properties of oxidized stanene using a combination of density functional theory (DFT), quantum molecular dynamics and the Landauer-Büttiker theory for the ballistic transport. Our results clearly show that oxygen adsorb onto stanene surface in both molecular or atomic forms, thus causing considerable modifications to its electronic structure and transport properties. Nevertheless, our quantum conductance calculations reveal that, in spite of oxidation, stanene still remains a good conductor that might be applied as field effect transistors, gas sensors and other devices.
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http://dx.doi.org/10.1088/1361-6528/ac0e6b | DOI Listing |
ACS Appl Mater Interfaces
January 2025
Key Laboratory of Low Carbon Energy and Chemical Engineering of Gansu Province, Lanzhou 730050, China.
Na superionic conductor (NASICON)-structure NaMnV(PO) (NVMP) electrode materials reveal highly attractive application prospects due to ultrahigh energy density originating from two-electron reactions. Nevertheless, NVMP also encounters challenges with its poor electronic conductivity, Mn dissolution, and Jahn-Teller distortion. To address this issue, utilizing N-doped carbon layers and carbon nanotubes (CNTs) for dual encapsulation enhances the material's electronic conductivity, creating an effective electron transport network that promotes the rapid diffusion and storage of Na.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Engineering Research Center of Advanced Rare Earth Materials, Department of Chemistry, Tsinghua University, Beijing 100084, China.
The side reactions accompanying the charging and discharging process, as well as the difficulty in decomposing the discharge product lithium peroxide, have been important issues in the research field of lithium-oxygen batteries for a long time. Here, single atom Ta supported by CoO hollow sphere was designed and synthesized as a cathode catalyst. The single atom Ta forms an electron transport channel through the Ta-O-Co structure to stabilize octahedral Co sites, forming strong adsorption with reaction intermediates and ultimately forming a film-like lithium peroxide that is highly dispersed.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Department of Chemistry and Centre for Processable Electronics, Imperial College London, London, W12 0BZ, UK.
Most current highly efficient organic solar cells utilize small molecules like Y6 and its derivatives as electron acceptors in the photoactive layer. In this work, a small molecule acceptor, SC8-IT4F, is developed through outer side chain engineering on the terminal thiophene of a conjugated 6,12-dihydro-dithienoindeno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (IDTT) central core. Compared to the reference molecule C8-IT4F, which lacks outer side chains, SC8-IT4F displays notable differences in molecule geometry (as shown by simulations), thermal behavior, single-crystal packing, and film morphology.
View Article and Find Full Text PDFAdv Mater
January 2025
Key Lab of Artificial Micro- and Nano-Structures of Ministry of Education of China, School of Physics and Technology, Wuhan University, Wuhan, 430072, China.
Porous lead iodide (PbI) film is crucial for the complete reaction between PbI and ammonium salts in sequential-deposition technology so as to achieve high crystallinity perovskite film. Herein, it is found that the tensile stress in tin (IV) oxide (SnO) electron transport layer (ETL) is a key factor influencing the morphology and crystallization of PbI films. Focusing on this, lithium trifluoromethanesulfonate (LiOTf) is used as an interfacial modifier in the SnO/PbI interface to decrease the tensile stress to reduce the necessary critical Gibbs free energy for PbI nuclei formation.
View Article and Find Full Text PDFAdv Sci (Weinh)
January 2025
Technical Center for Multifunctional Magneto-Optical Spectroscopy (Shanghai), Engineering Research Center of Nanophotonics & Advanced Instrument (Ministry of Education), Department of Physics, School of Physics and Electronic Science, East China Normal University, Shanghai, 200241, China.
Controlling polarization states of ferroelectrics can enrich optoelectronic properties and functions, offering a new avenue for designing advanced electronic and optoelectronic devices. Here, ferroelectric semiconductor-based field-effect transistors (FeSFETs) are fabricated, where the channel is a ferroelectric semiconductor (e.g.
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