Results 1 to 10 of about 1,956,506 (342)

Atypical charge redistribution over a charge-transfer monolayer on a metal [PDF]

New Journal of Physics, 2013
We report an atypical charge distribution in a highly ordered monolayer of sodium (Na) and tetracyanoquinodimethane (TCNQ) on a Au(111) surface. Na atoms incorporated in the charge-transfer layer donate their 3s electron to the lowest unoccupied orbital ...
T R Umbach, I Fernández-Torrente, M Ruby, F Schulz, C Lotze, R Rurali, M Persson, J I Pascual, K J Franke   +8 more
doaj   +2 more sources

Femtosecond Core-Level Charge Transfer. [PDF]

J Phys Chem Lett
Neville SP, Yaghoubi Jouybari M, Schuurman MS.   +2 more
europepmc   +2 more sources

Highly-destabilized ligand field excited states of iron carbene complexes and their relation to charge transfer state lifetimes. [PDF]

Chem Sci
Hooper RX, Poulter BI, Schwarz J, Barakat M, Kunnus K, Nelson KJ, Ilic A, García-Mateos C, Chowdhury R, Uhlig J, Wärnmark K, Jakubikova E, Cordones AA, Gaffney KJ.   +13 more
europepmc   +3 more sources

Linear and Nonlinear Photon-Induced Cross Bridge/Space Charge Transfer in STC Molecular Crystals

Nanomaterials, 2022
In this work, we theoretically studied the optical absorption properties of a layer-stacked cocrystal heterogeneous material Spe-TCNB cocrystal (STC) which is produced by supramolecular self-assembly of organic conjugated monomers SPE and TCNB.
Chen Lu, Jing Yu, Hao Sheng, Yongjian Jiang, Fengyang Zhao, Jingang Wang   +5 more
doaj   +1 more source

Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited [PDF]

Journal of Chemical Theory and Computation, 2015
Criteria to assess charge-transfer (CT) and CT-like character of electronic excitations are examined. Time-dependent density functional theory (TDDFT) calculations with non-hybrid, hybrid, and tuned long-range corrected (LC) functionals are compared with coupled-cluster (CC) benchmarks.
Barry, Moore, Haitao, Sun, Niranjan, Govind, Karol, Kowalski, Jochen, Autschbach   +4 more
openaire   +2 more sources

Field‐assisted thermionic emission toward quantitative modeling of charge‐transfer mechanisms in contact electrification

SmartMat, 2022
Charge transfer mechanisms of contact electrification (CE) are essential for widening applications of the triboelectric nanogenerator, and thus are widely studied by scientists around the world.
Xin Xia, Haoyu Wang, Yunlong Zi
doaj   +1 more source

Biomedical Implants with Charge‐Transfer Monitoring and Regulating Abilities

Advanced Science, 2021
Transmembrane charge (ion/electron) transfer is essential for maintaining cellular homeostasis and is involved in many biological processes, from protein synthesis to embryonic development in organisms.
Donghui Wang, Ji Tan, Hongqin Zhu, Yongfeng Mei, Xuanyong Liu   +4 more
doaj   +1 more source

A Theoretical Investigation of Charge Transfer Dynamics from Sensitized Molecule D35CPDT Dye to SnO_2 and TiO_2 Semiconductor

Ibn Al-Haitham Journal for Pure and Applied Sciences, 2022
In this research, the dynamics process of charge transfer from the sensitized  D35CPDT dye to tin(iv) oxide( ) or titanium dioxide (  ) semiconductors are carried out by using a quantum model for charge transfer.
Estabraq Hasan, Hadi J. M. Alagealy
doaj   +1 more source

Ultrafast phonon‐driven charge transfer in van der Waals heterostructures

Natural Sciences, 2022
Van der Waals heterostructures built by vertically stacked transition metal dichalcogenides (TMDs) exhibit a rich energy landscape, including interlayer and intervalley excitons.
Giuseppe Meneghini, Samuel Brem, Ermin Malic   +2 more
doaj   +1 more source

Interfacial Charge-Transfer Transitions for Direct Charge-Separation Photovoltaics

Energies, 2020
Photoinduced charge separation (PCS) plays an essential role in various solar energy conversions such as photovoltaic conversion in solar cells. Usually, PCS in solar cells occurs stepwise via solar energy absorption by light absorbers (dyes, inorganic ...
Jun-ichi Fujisawa
doaj   +1 more source