Electronic surface states and dielectric self-energy profiles in colloidal nanoscale platelets of CdSe
文献情報
Jacky Even, Laurent Pedesseau, Mikaël Kepenekian
The electronic surface states and dielectric self-energy profiles in CdSe colloidal nanoscale platelets are explored by means of an original ab initio approach. In particular, we show how the different coatings deeply modify the quantum and dielectric confinement in CdSe nanoscale platelets. Molecular coating leads to an electronic band gap free of electronic surface states as well as an optimal surface coverage. The reduced blinking in CdSe nanoscale platelets is discussed. The theoretical method here proposed allows one to go beyond the popular empirical description of abrupt dielectric interfaces by explicitly describing the nanoplatelet surface morphology and polarisability at the atomic level. This theoretical study open the way toward more precise description of the dielectric confinement effect in any hybrid system exhibiting 2D electronic properties.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














