A universal theoretical description of the dissociation problem for electron-hole pair on a one-dimensional chain in the hopping regime is proposed. Widely used results of Frenkel and Onsager theories are obtained as particular cases of the general solution. The application of the analytical theory to disordered chains shows that disorder enhances dissociation of geminate electron-hole pairs at low electric fields and suppresses at high fields.
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http://dx.doi.org/10.1103/PhysRevLett.100.196602 | DOI Listing |
J Phys Chem Lett
August 2024
Department of Chemistry and Chemistry Institute for Functional Materials, Pusan National University, Busan 46241, Korea.
Angew Chem Int Ed Engl
September 2024
State Key Laboratory of Photocatalysis on Energy and Environment, College of Chemistry, Fuzhou University, Fuzhou, 350002, China.
Spillover of adsorbed species from one active site to another is a key step in heterogeneous catalysis. However, the factors controlling this step, particularly the spillover of polyatomic species, have rarely been studied. Herein, we investigate the spillover dynamics of H* and CH* species on a single-atom alloy surface (Rh/Cu(111)) upon the dissociative chemisorption of methane (CH), using molecular dynamics that considers both surface phonons and electron-hole pairs.
View Article and Find Full Text PDFBiophys J
December 2024
Schulich Faculty of Chemistry, Technion - Israel Institute of Technology, Haifa, Israel. Electronic address:
Proton circuits within biological membranes, the foundation of natural bioenergetic systems, are significantly influenced by the lipid compositions of different biological membranes. In this study, we investigate the influence of mixed lipid membrane composition on the proton transfer (PT) properties on the surface of the membrane. We track the excited-state PT (ESPT) process from a tethered probe to the membrane with timescales and length scales of PT relevant to bioenergetic systems.
View Article and Find Full Text PDFJ Am Chem Soc
May 2024
Department of Physics and Astronomy, Uppsala University, 75120 Uppsala, Sweden.
C-H bond activation reactions with transition metals typically proceed via the formation of alkane σ-complexes, where an alkane C-H σ-bond binds to the metal. Due to the weak nature of metal-alkane bonds, σ-complexes are challenging to characterize experimentally. Here, we establish the complete pathways of photochemical formation of the model σ-complex Cr(CO)-alkane from Cr(CO) in octane solution and characterize the nature of its metal-ligand bonding interactions.
View Article and Find Full Text PDFJ Chem Phys
February 2024
School of Physics and Materials Science, Guangzhou University, Guangzhou 510006, China.
In this work, charge photogeneration and recombination processes of PM6:IDIC-4F and PM6:IDIC blend films were investigated by the steady-state and time-resolved spectroscopies, as well as the time-dependent density functional theory calculations. The peaks in absorption and photoluminescence (PL) spectra of IDIC and IDIC-4F solutions were assigned by combining the experiment and the simulation of UV-vis absorption and PL spectra. For neat acceptor films, the exciton diffusion length of neat IDIC and IDIC-4F films was estimated as ∼28.
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