ALBERT

All Library Books, journals and Electronic Records Telegrafenberg

feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
  • 1
    Publication Date: 2016-03-25
    Description: Ethylene-dinitrobenzoyl (EDNB) linked to graphene oxide has been shown to improve the performance of graphene/polymer organic photovoltaics. Its binding conformation on graphene, however, is not yet clear, nor have its effects on work function and optical absorption been explored more generally for graphene quantum dots. In this report, we clarify the linkage of EDNB to GQDs from first principles and show that the binding of the molecule increases the work function of graphene, while simultaneously modifying its absorption in the ultraviolet region.
    Print ISSN: 0003-6951
    Electronic ISSN: 1077-3118
    Topics: Physics
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 2
    Publication Date: 2014-07-26
    Description: We discuss the application of multishift linear system solvers to linear-response time-dependent density functional theory. Using this technique the complete frequency-dependent electronic density response of finite systems to an external perturbation can be calculated at the cost of a single solution of a linear system via conjugate gradients. We show that multishift time-dependent density functional theory yields excitation energies and oscillator strengths in perfect agreement with the standard diagonalization of the response matrix (Casida's method), while being computationally advantageous. We present test calculations for benzene, porphin, and chlorophyll molecules. We argue that multishift solvers may find broad applicability in the context of excited-state calculations within density-functional theory and beyond.
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
  • 3
    Publication Date: 2015-03-19
    Description: The understanding of the Ar/Cl 2 plasma etching mechanism is crucial for the desired modification of inner surface of the three dimensional niobium (Nb) superconductive radio frequency cavities. Uniform mass removal in cylindrical shaped structures is a challenging task because the etch rate varies along the direction of gas flow. The study is performed in the asymmetric coaxial radio-frequency (rf) discharge with two identical Nb rings acting as a part of the outer electrode. The dependence of etch rate uniformity on pressure, rf power, dc bias, Cl 2 concentration, diameter of the inner electrode, temperature of the outer cylinder, and position of the samples in the structure is determined. To understand the plasma etching mechanisms, we have studied several factors that have important influence on the etch rate and uniformity, which include the plasma sheath potential, Nb surface temperature, and the gas flow rate.
    Print ISSN: 0021-8979
    Electronic ISSN: 1089-7550
    Topics: Physics
    Location Call Number Expected Availability
    BibTip Others were also interested in ...
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...