Model study of adsorbed metallic quantum dots: Na on Cu„111..

نویسندگان

  • T. Torsti
  • V. Lindberg
  • M. J. Puska
  • B. Hellsing
چکیده

T. Torsti, V. Lindberg, M. J. Puska, and B. Hellsing Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, FIN-02015 HUT, Finland CSC Scientific Computing Ltd., P.O. Box 405, FIN-02101 Espoo, Finland Department of Physics, Växjö University, SE-35195 Växjö, Sweden Department of Experimental Physics, Chalmers and Göteborg University, SE-412 96 Göteborg, Sweden ~Received 25 July 2002; published 30 December 2002!

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The Nature of Electronic Contact in Self-Assembled Monolayers for Molecular Electronics: Evidence for Strong Coupling

Self-assembled-monolayers (SAMs) of aromatic thiolates on metal surfaces are candidates for molecular “quantum dots” or “wires”. We probe the interfacial electronic structure using two-photon photoemission in SAMs of pentafluorothiophenolate (C6F5S) on Cu(111). Compared to gas-phase C6F5SH, the σ* LUMO in the assembled molecule is stabilized by 3.1 eV and the HOMO-LUMO gap is reduced by 5.7 eV....

متن کامل

Face-dependent bond lengths in molecular chemisorption: the formate species on Cu(111) and Cu(110).

Many previous structural studies of molecular adsorbates on metal surfaces indicate that the local coordination and bonding is closely similar to that in organometallic compounds, implying that the metallic substrate has no significant influence. Here we show that such an influence is detectable for one model system, namely, the formate species, HCOO, adsorbed on the atomically rough and smooth...

متن کامل

Quantum Monte Carlo Calculations on a Benchmark Molecule–Metal Surface Reaction: H2 + Cu(111)

Accurate modeling of heterogeneous catalysis requires the availability of highly accurate potential energy surfaces. Within density functional theory, these can-unfortunately-depend heavily on the exchange-correlation functional. High-level ab initio calculations, on the other hand, are challenging due to the system size and the metallic character of the metal slab. Here, we present a quantum M...

متن کامل

Mirages and enhanced magnetic interactions in quantum corrals

– We develop a theory for the interactions between magnetic impurities in nanoscopic systems. The case of impurities in quantum corrals built on the (111) Cu surface is analyzed in detail. For elliptical corrals with one impurity, clear magnetic mirages are obtained. This leads to an enhancement of the inter-impurity interactions when two impurities are placed at special points in the corral. W...

متن کامل

P-156: A Study about Toxicity of CdSe Quantum Dots on Male Sexual System of Mice and Controlling This Toxicity by ZnS Coverage in Immature Mice

Background: Quantum dots are commonly composed of cadmium contained semiconductors. Cadmium is potentially hazardous but toxicity of such quantum dots is not yet systematically investigated. On the other hand, in vitro studies have shown almost complete control of CdSe induced cytotoxicity by ZnS coverage. Toxicity of CdSe quantum dots and controlling this toxicity by ZnS coverage in immature m...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2002