Modulating Micro‐Environments in Tri‐Motif Molecular Junction COF for to Boost Photocatalytic CO 2 Reduction
Sign Up to like & getrecommendations! Published in 2025 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202521214
Abstract: Photocatalytic CO 2 reduction presents a promising strategy for advancing carbon neutrality. COFs serve as ideal photocatalytic platforms but face limitations from poor active site exposure and rapid charge recombination. Through a donor‐acceptor synergy strategy,… read more here.
Keywords: photocatalytic reduction; tri motif; micro environments; motif molecular ... See more keywords
Achieving Efficient Solar Hydrogen Production via a Three-Motif Molecular Junction with Spatially Separated Dual Reduction Sites.
Sign Up to like & getrecommendations! Published in 2025 at "ACS nano"
DOI: 10.1021/acsnano.5c12032
Abstract: Organic semiconductors are very attractive photocatalysts for the production of solar fuels. However, their development is greatly plagued by limited visible light absorption and severe restriction of photoexcited charge carrier separation and transfer caused by… read more here.
Keywords: spatially separated; junction; three motif; motif molecular ... See more keywords
Spin transport through a junction entirely consisting of molecules from first principles
Sign Up to like & getrecommendations! Published in 2017 at "Applied Physics Letters"
DOI: 10.1063/1.5009744
Abstract: Using first-principles calculations based on density functional theory combined with the nonequilibrium Green's function formalism, we studied the spin transport through a single molecular junction which consists of a single 1,4-benzenedithiolate (BDT) molecule and two… read more here.
Keywords: spin transport; junction entirely; molecular junction; transport junction ... See more keywords
Binding structure, breaking forces and conductance of Au-Octanedithiol-Au molecular junction under stretching processes: a DFT-NEGF study
Sign Up to like & getrecommendations! Published in 2022 at "Nanotechnology"
DOI: 10.1088/1361-6528/aca617
Abstract: Au-n-octanedithiol-Au molecular junction (Au-SC8S-Au) has been investigated using density functional theory combined with the nonequilibrium Green’s function approach. Theoretically calculated results are used to build the relationship between the interface binding structures and single-molecule quantum… read more here.
Keywords: conductance; octanedithiol molecular; conductance octanedithiol; molecular junction ... See more keywords
Theoretical design of thermal spin molecular logic gates by using a combinational molecular junction
Sign Up to like & getrecommendations! Published in 2022 at "Chinese Physics B"
DOI: 10.1088/1674-1056/ac3a5f
Abstract: Based on the density functional theory combined with the nonequilibrium Green function methodology, we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consisting of a planar four-coordinate Fe molecule and a… read more here.
Keywords: spin; thermal spin; molecular junction; combinational molecular ... See more keywords
Proximity-Induced Shiba States in a Molecular Junction.
Sign Up to like & getrecommendations! Published in 2017 at "Physical review letters"
DOI: 10.1103/physrevlett.118.117001
Abstract: Superconductors containing magnetic impurities exhibit intriguing phenomena derived from the competition between Cooper pairing and Kondo screening. At the heart of this competition are the Yu-Shiba-Rusinov (Shiba) states which arise from the pair breaking effects… read more here.
Keywords: shiba states; induced shiba; molecular junction; states molecular ... See more keywords