187 citations
- Max Planck SocietyDE14 papers
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- Bulgarian Academy of SciencesBG3 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- Delft University of TechnologyNL2 papers
- Frankfurt Institute for Advanced StudiesDE2 papers
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- Instituto Politécnico de LisboaPT2 papers
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- East China Normal UniversityCN1 paper
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5 papers · 1 filter
Water on Pt(111): the importance of proton disorder
Luigi Delle Site, Luca M. Ghiringhelli, Oliviero Andreussi +2
The structure of a water adlayer on Pt(111) surface is investigated by extensive first principle calculations. Only allowing for proton disorder the ground state energy can be foun…
Charge mobility of discotic mesophases: A multiscale quantum/classical study
J. Kirkpatrick, V. Marcon, J. Nelson +2
A correlation is established between the molecular structure and charge mobility of discotic mesophases of hexabenzocoronene derivatives by combining electronic structure calculati…
Magneto-controlled nonlinear optical materials
J. P. Huang, K. W. Yu
We exploit theoretically a magneto-controlled nonlinear optical material which contains ferromagnetic nanoparticles with a non-magnetic metallic nonlinear shell in a host fluid. Su…
Optical nonlinearity enhancement of graded metal-dielectric composite films
J. P. Huang, L. Dong, K. W. Yu
We have derived the local electric field inside graded metal-dielectric composite films with weak nonlinearity analytically, which further yields the effective linear dielectric co…
Optical nonlinearity enhancement of graded metallic films
J. P. Huang, K. W. Yu
The effective linear and third-order nonlinear susceptibility of graded metallic films with weak nonlinearity have been investigated. Due to the simple geometry, we were able to de…