相关论文: Photo-induced intermolecular charge transfer in po…
Proton-coupled electron transfer (PCET) is the underlying mechanism governing important reactions ranging from water splitting in photosynthesis to oxygen reduction in hydrogen fuel cells. The interplay of proton and electronic charge…
Photocatalysis induced by sunlight is one of the most promising approach to environmental protection, solar energy conversion and sustainable production of fuels. The computational modeling of photocatalysis is a rapidly expending field…
Porphyrinic materials show a range of interesting and useful optical and electrical properties. The less well-known sub-class of porphyrin diacids has been used in this work to construct an ionic hybrid organic-inorganic material in…
We introduce and study the concept of a reversible transfer of the quantum state of two internally-translationally entangled fragments, formed by molecular dissociation, to a photon pair. The transfer is based on intracavity stimulated…
Ammonia is one of the most widely observed molecules in space, and many observations are able to resolve the hyperfine structure due to the electric quadrupole moment of the nitrogen nucleus. The observed spectra often display anomalies in…
We theoretically study pump-photon-energy-dependent pathways of a photoinduced dimer-Mott-insulator-to-metal transition, on the basis of numerical solutions to the time-dependent Schr\"odinger equation for the exact many-body wave function…
Interface interactions in 2D vertically stacked heterostructures play an important role in optoe-lectronic applications, photodetectors based on graphene/InSe heterostructures had shown promising performance nowadays. However, nonlinear…
We use helicity-resolved ultrafast transient absorption spectroscopy to study spin-valley polarization dynamics in a vertically stacked MoSe$_{2}$/WSe$_{2}$ heterostructure. The experimental findings reveal details of interlayer charge…
The mechanisms of energy and spin transfer in quantum dot pairs coupled via the Coulomb interaction are studied. Exciton transfer can be resonant or phonon-assisted. In both cases, the transfer rates strongly depend on the resonance…
We analytically derive transfer probabilities and efficiencies for an artificial light-harvesting photosynthetic system, which consists of a ring coupled to a central acceptor. For an incident photon pair, we find near-perfect single…
When an electron or a hole is added into an orbital of an adsorbed molecule the substrate electrons will rearrange in order to screen the added charge. This results in a reduction of the electron addition/removal energies as compared to the…
The evolution of charge carriers in photoexcited room temperature ZnO nanoparticles in solution is investigated using ultrafast ultraviolet photoluminescence spectroscopy, ultrafast Zn K-edge absorption spectroscopy and ab-initio molecular…
The strong coupling between intense laser fields and valence electrons in molecules causes a distortion of the potential energy hypersurfaces which determine the motion of nuclei in a molecule and influences possible reaction pathways. The…
Proton-coupled electron transfer (PCET) is foundational to catalysis, bioenergetics, and energy conversion, yet capturing and disentangling the coupled motions of electrons, protons, and solvent has remained a major experimental challenge.…
We investigate the reaction $e p \to e PS X$ where PS denotes a pseudoscalar meson $\pi^0, \eta, \eta'$, or $\eta_c$ and X either a proton or resonance or continuum states into which the proton can go by diffractive excitation. At high…
Motivated by photoinduced phase transition in manganese oxides, charge and spin dynamics induced by photoirradiation are examined. We calculate the transient optical absorption spectra of the extended double-exchange model by the density…
Hybrid quantum dot (QD) / transition metal dichalcogenide (TMD) heterostructures are attractive components of next generation optoelectronic devices, which take advantage of the spectral tunability of QDs and the charge and exciton…
Electron transfer (ET) between primary electron donors and acceptors is modeled in the photosystem II reaction center (RC). Our model includes (i) two discrete energy levels associated with donor and acceptor, interacting through a…
Zinc-diffusion can induce multiple failures in the electrical performance of a multijunction solar cell. In this work, we show an important Zn-diffusion from the AlGaInP back-surface-field layer to the emitter of the GaInP top cell of an…
We investigate the electron-transport properties of ethyne-bridged diphenyl zinc-porphyrin molecules suspended between gold (111) electrodes by first-principles calculations within the framework of density functional theory. It is found…