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Coherent Electron Transfer at the Ag/Graphite Heterojunction Interface.

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TLDR
Time-resolved multiphoton photoemission spectroscopy (MPP) investigates the coherent electron transfer from an interface state that forms upon chemisorption of Ag nanoclusters onto graphite to a σ symmetry interlayer band of graphite.
Abstract
Charge transfer in transduction of light to electrical or chemical energy at heterojunctions of metals with semiconductors or semimetals is believed to occur by photogenerated hot electrons in metal undergoing incoherent internal photoemission through the heterojunction interface. Charge transfer, however, can also occur coherently by dipole coupling of electronic bands at the heterojunction interface. Microscopic physical insights into how transfer occurs can be elucidated by following the coherent polarization of the donor and acceptor states on the time scale of electronic dephasing. By time-resolved multiphoton photoemission spectroscopy (MPP), we investigate the coherent electron transfer from an interface state that forms upon chemisorption of Ag nanoclusters onto graphite to a $\ensuremath{\sigma}$ symmetry interlayer band of graphite. Multidimensional MPP spectroscopy reveals a resonant two-photon transition, which dephases within 10 fs completing the coherent transfer.

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Citations
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Journal ArticleDOI

Plasmon-Mediated Catalytic O2 Dissociation on Ag Nanostructures: Hot Electrons or Near Fields?

TL;DR: In this paper, the mechanisms by which energy transfer occurs across interfaces formed between plasmoni is investigated, and the authors propose a method to obtain the energy transfer mechanism for photon harvesting applications.
Journal ArticleDOI

Nonadiabatic Molecular Dynamics for Thousand Atom Systems: A Tight-Binding Approach toward PYXAID.

TL;DR: An efficient approach for simulating nonadiabatic molecular dynamics of large systems in the framework of the self-consistent charge density functional tight binding (SCC-DFTB) method, capable of treating accurately and efficiently excitation dynamics in large, realistic nanoscale materials, employing modest computational resources.
Journal ArticleDOI

Hot-Carrier Generation in Plasmonic Nanoparticles: The Importance of Atomic Structure.

TL;DR: The results show that surface sites exhibit enhanced hot-electron generation in comparison to the bulk of the nanoparticle, and demonstrate how hot carriers could be tailored by careful design of atomic-scale structures in nanoscale systems.
Journal ArticleDOI

Plasmon-Induced Direct Hot-Carrier Transfer at Metal–Acceptor Interfaces

TL;DR: The direct-transfer process is studied to provide guidelines toward the design of metal-acceptor interfaces that enable more efficient plasmonic hot-carrier devices and effective strategies to control and tune the probabilities of DHET and DHHT processes are proposed.
Journal ArticleDOI

Ultrafast Photoemission Electron Microscopy: Imaging Plasmons in Space and Time.

TL;DR: A thorough experimental description of PEEM as a characterization tool for both surface plasmon polaritons and localized plasmons is guided and the exciting progress it has opened by the ultrafast imaging of plAsmonic phenomena on the nanofemto scale is summarized.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI

Projector augmented-wave method

TL;DR: An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural way and can be used to treat first-row and transition-metal elements with affordable effort and provides access to the full wave function.
Journal ArticleDOI

From ultrasoft pseudopotentials to the projector augmented-wave method

TL;DR: In this paper, the formal relationship between US Vanderbilt-type pseudopotentials and Blochl's projector augmented wave (PAW) method is derived and the Hamilton operator, the forces, and the stress tensor are derived for this modified PAW functional.
Journal ArticleDOI

Ab initio molecular dynamics for open-shell transition metals.

Georg Kresse, +1 more
- 01 Nov 1993 - 
TL;DR: In this paper, it was shown that quantum-mechanical molecular-dynamics simulations in a finite-temperature local density approximation based on the calculation of the electronic ground state and of the Hellmann-Feynman forces after each time step are feasible for liquid noble and transition metals.
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Trending Questions (1)
How does electron transfer between phases?

The paper does not provide information on how electron transfer occurs between phases.