Doping‐Free Asymmetrical Silicon Heterocontact Achieved by Integrating Conjugated Molecules for High Efficient Solar Cell
Sign Up to like & getrecommendations! Published in 2017 at "Advanced Energy Materials"
DOI: 10.1002/aenm.201700311
Abstract: Organic conjugated molecule/silicon (Si) heterojunction has been widely investigated to build up an asymmetrical heterocontact for efficient photovoltaics. However, it is still unclear how the organic molecular structures can affect their electronic coupling interaction with… read more here.
Keywords: doping free; electronic coupling; heterocontact achieved; coupling interaction ... See more keywords
Effect of fluorination on exciton binding energy and electronic coupling in small molecule acceptors for organic solar cells
Sign Up to like & getrecommendations! Published in 2020 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2020.112797
Abstract: Abstract A detail study was performed to get deeper understanding of fluorination impact on intermolecular coupling and intermolecular interactions. Results showed that fluorine substitution plays an important role to modify the charge distribution or electrostatic… read more here.
Keywords: energy; fluorination; exciton binding; binding energy ... See more keywords
Polyelectrochromism and electronic coupling in vinylruthenium-modified carbazoles
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2017.05.010
Abstract: Abstract Six carbazole-derived mono-, di- and trinuclear ruthenium complexes featuring one to three square pyramidal, five-coordinated {Ru(CO)Cl(PiPr3)2(CH CH-)} entities were prepared by the regio- and stereospecific insertion of the hydride precursor HRu(CO)Cl(PiPr3)2 into the C… read more here.
Keywords: oxidation; coupling vinylruthenium; electronic coupling; spectroscopy ... See more keywords
Long-distance electronic coupling in diferrocenyl compounds with cross-conjugated germinal-diethynylethene bridges
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Organometallic Chemistry"
DOI: 10.1016/j.jorganchem.2018.01.052
Abstract: Abstract A series of germinal-diethynylethene (gem-DEE) bridged diferrocenyl compounds, including 1,1-[bis(ferrocenylethynyl)methylene]cyclohexane (1), 1,1-[bis(ferrocenylethynyl)methylene]tetrahydro-2H-pyran (2), and 1,1-[bis(ferrocenylethynyl)methylene]tetrahydro-2H-thiopyran (3) were synthesized and characterized. The Fe⋯Fe distance between the two ferrocenyl termini reaches up to ∼9 A for compounds… read more here.
Keywords: germinal diethynylethene; diferrocenyl compounds; distance; electronic coupling ... See more keywords
Excitons and Polarons in Organic Materials.
Sign Up to like & getrecommendations! Published in 2020 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.0c00349
Abstract: ConspectusExcitons and polarons play a central role in the electronic and optical properties of organic semiconducting polymers and molecular aggregates and are of fundamental importance in understanding the operation of organic optoelectronic devices such as… read more here.
Keywords: coherence; energy; excitons polarons; spectrum ... See more keywords
Mapping Bridge Conformational Effects on Electronic Coupling in Mo2-Mo2 Mixed-Valence Systems.
Sign Up to like & getrecommendations! Published in 2018 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.8b01056
Abstract: The large bridging ligand 9,10-anthracenedicarboxylate and its thiolated derivatives have been employed to assemble two dimolybdenum complex units and develop three Mo2 dimers, [Mo2(DAniF)3]2(μ-9,10-O2CC14H8CO2), [Mo2(DAniF)3]2(μ-9,10-OSCC14H8COS), and [Mo2(DAniF)3]2(μ-9,10-S2CC14H8CS2) (DAniF = N, N'-di( p-anisyl)formamidinate), for the study… read more here.
Keywords: mapping bridge; electronic coupling; effects electronic; mixed valence ... See more keywords
First-Principles and Molecular Dynamics on A–D(Π)–A Type Sensitizers for Dye-Sensitized Solar Cells: Effects of Various Anchoring Groups on Electronic Coupling and Dye Aggregation
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b03409
Abstract: The aggregation effect of five A–D(π)–A organic dyes, 1–5, with different anchoring groups is investigated by a combination of first-principles and molecular dynamics (MD). The dye with CSSH anchoring group (2) exhibits improved optoelectronic properties… read more here.
Keywords: aggregation; molecular dynamics; principles molecular; anchoring groups ... See more keywords
Topological Stone-Wales Defects Enhance Bonding and Electronic Coupling at the Graphene/Metal Interface.
Sign Up to like & getrecommendations! Published in 2022 at "ACS nano"
DOI: 10.1021/acsnano.2c01952
Abstract: Defects play a critical role for the functionality and performance of materials, but the understanding of the related effects is often lacking, because the typically low concentrations of defects make them difficult to study. A… read more here.
Keywords: graphene; coupling graphene; stone wales; graphene metal ... See more keywords
Electronic Coupling in π-Conjugated Molecule-Bridged Silicon Quantum Dot Clusters Synthesized by Sonogashira Cross-Coupling Reaction
Sign Up to like & getrecommendations! Published in 2019 at "ACS Omega"
DOI: 10.1021/acsomega.8b03459
Abstract: π-Conjugated molecule-bridged silicon quantum dot (Si QD) clusters were first synthesized by Sonogashira cross-coupling reaction between 4-ethynylstyryl and octyl co-capped Si QDs (4-Es/Oct Si QDs) and 2,5-dibromo-3-hexylthiophene. The formation of Si QD clusters was confirmed… read more here.
Keywords: molecule bridged; silicon quantum; quantum dot; electronic coupling ... See more keywords
Bis-Ferrocenyl-Pyridinediimine Trinuclear Mixed-Valent Complexes with Metal-Binding Dependent Electronic Coupling: Synthesis, Structures, and Redox-Spectroscopic Characterization.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.0c10015
Abstract: A family of metal dichloride complexes having a bis-ferrocenyl-substituted pyridinediimine ligand was systematically synthesized ((Fc2PDI)MCl2, M = Mg, Zn, Fe, and Co) and characterized crystallographically, spectroscopically, electrochemically, and computationally. Electronic coupling between the ligand ferrocene… read more here.
Keywords: electronic coupling; metal; bis ferrocenyl; pyridinediimine ... See more keywords
Tuning p-Si(111) Photovoltage via Molecule|Semiconductor Electronic Coupling.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.0c12075
Abstract: Photoelectrochemical (PEC) device efficiency depends heavily on the energetics and band alignment of the semiconductor|overlayer junction. Exerting energetic control over these junctions via molecular functionalization is an extremely attractive strategy. Herein we report a study… read more here.
Keywords: molecule; semiconductor; electronic coupling; structure ... See more keywords