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131.
Mauro Castellani Stefanie Winkler Benjamin Bröker Martin Baumgarten Klaus Müllen Norbert Koch 《Applied Physics A: Materials Science & Processing》2014,114(2):291-295
We show how the work function of transparent conductive oxide surfaces can be increased by more than 1 eV by solution-depositing strong electron acceptor monolayers comprising tetrafluoro-tetracyanoquinodimethane (F4TCNQ) or hexaazatriphenylene-hexacarbonitrile (HATCN). The effects of ambient atmosphere on the work function are investigated by comparing Kelvin probe measurements in air and ultraviolet photoelectron spectroscopy in ultrahigh vacuum. In this way, important technological issues related to the influence of ambient moisture on electrode properties are elucidated. 相似文献
132.
Breaking the Semi‐Quinoid Structure: Spin‐Switching from Strongly Coupled Singlet to Polarized Triplet State
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Prince Ravat Prof. Yoshio Teki Dr. Yoshikazu Ito Dr. Elena Gorelik Prof. Martin Baumgarten 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(38):12041-12045
2,7‐TMPNO (4,5,9,10‐tetramethoxypyrene‐2,7‐bis(tert‐butylnitroxide)) was found to exist in semi‐quinoid form with unprecedented strong intramolecular magnetic exchange interaction of 2 J/kB=1185 K operating over a distance of 10 Å. Structural transformations with the activation energy of ΔEeq=949 K were observed by varying the temperature, from more quinoid structure at low temperature to more biradicaloid structure at higher temperature. Moreover, this molecule undergoes a transient spin transition from singlet to polarized triplet state upon photoexcitation revealed by TREPR spectroscopy. The spin Hamiltonian parameters were determined to be S=1, g=2.0065, D=?0.0112 cm?1, and E=?0.0014 cm?1 by spectral simulation with the hybrid Eigenfield/exact diagonalization method. 相似文献
133.
Summary.
This work considers the uniformly elliptic operator
defined by
in (the unit square)
with boundary conditions:
on and
on and its discretization based on
Hermite cubic spline spaces and collocation at the
Gauss points. Using an
interpolatory basis with support on the
Gauss points one obtains the matrix
.
We discuss the
condition numbers and the
distribution of
-singular
values of the preconditioned matrices
where is
the stiffness matrix
associated with the finite element
discretization of the positive definite
uniformly elliptic operator
given by
in
with boundary conditions:
on
on .
The finite element space is either the
space of continuous functions which
are bilinear on the rectangles determined
by Gauss points or the space of continuous
functions which are linear on the
triangles of the triangulation of
using the Gauss points.
When
we obtain results on the eigenvalues of
. In
the general case we obtain bounds and clustering results on the
-singular values of
.
These results are
related to the results of Manteuffel
and Parter [MP], Parter and Wong [PW], and
Wong [W] for finite element discretizations
as well as the results of Parter
and Rothman [PR] for discretizations based on
Legendre Spectral Collocation.
Received
January 1, 1994 / Revised version received February 7, 1995 相似文献
134.
Seymour Meyerson 《Journal of mass spectrometry : JMS》1989,24(8):653-662
A series of deuterium-labeled n-octadecyl benzoates serves to extend the literature using lower homologues for study of the mass-spectral reactions characteristic of alkyl esters. The benzoic acid radical cation (a) arises largely via hydrogen migration from C(2), as expected for the conventional mechanism passing through a six-membered quasicyclic intermediate; the presence of contributions from other processes is simply noted in passing. The octadecene radical cation (b) and protonated benzoic acid (c) arise by paths seemingly closely related to each other but differing from the path dominant for a. The data are rationalized in terms of a reaction sequence passing through two ion-neutral complex intermediates. The first, (d), consists of octadecyl carbenium ion and benzoyloxy radical; the second, (e), consists of octadecene radical cation and benzoic acid. The ionized partner in d appears to undergo none to several hydride migrations, but most prominently one; that in e may dissociate promptly to yield b or may persist, undergoing multiple hydride migrations to effect essentially complete scrambling of hydrogens, before dissociating to yield c. The argument for this mechanistic sequence to form b and c rests basically on its ability to account plausibly for the experimental data, and literature precedents cited for specific aspects of it furnish additional support. The low critical energies and small kinetic energy releases observed in this work are in accord with the characteristics listed by McAdoo for decompositions mediated by ion-neutral complexes, and the selection of an octadecyl, as opposed to a smaller alkyl, ester predisposes the molecule to favor such low-energy processes. 相似文献
135.
136.
137.
138.
P.D Seymour 《Journal of Combinatorial Theory, Series B》1980,28(3):305-359
It is proved that every regular matroid may be constructed by piecing together graphic and cographic matroids and copies of a certain 10-element matroid. 相似文献
139.
140.