scholarly journals Electronic Couplings for Charge Transfer across Molecule/Metal and Molecule/Semiconductor Interfaces: Performance of the Projector Operator-Based Diabatization Approach

2017 ◽  
Vol 121 (36) ◽  
pp. 19677-19689 ◽  
Author(s):  
Zdenek Futera ◽  
Jochen Blumberger
Keyword(s):  
Charge Transfer ◽  
Semiconductor Interfaces ◽  
Projector Operator

scholarly journals Modeling charge transfer at organic donor-acceptor semiconductor interfaces

2012 ◽  
Vol 100 (20) ◽  
pp. 203302 ◽  
Author(s):  
Deniz Çakir ◽  
Menno Bokdam ◽  
Michel P. de Jong ◽  
Mats Fahlman ◽  
Geert Brocks
Keyword(s):  
Charge Transfer ◽  
Semiconductor Interfaces ◽  
Donor Acceptor

Study of charge transfer in FeTi

1983 ◽  
Vol 41 ◽  
pp. 296-297
Author(s):  
J. Taft∅
Keyword(s):  
Charge Transfer ◽  
Charge Distribution ◽  
Electron Scattering ◽  
Periodic System ◽  
Electron Distribution ◽  
Scattering Amplitude ◽  
Transition Elements ◽  
Hartree Fock ◽  
Cscl Structure ◽  
The Right

It is well known that for reflections corresponding to large interplanar spacings (i.e., sin θ/λ small), the electron scattering amplitude, f, is sensitive to the ionicity and to the charge distribution around the atoms. We have used this in order to obtain information about the charge distribution in FeTi, which is a candidate for storage of hydrogen. Our goal is to study the changes in electron distribution in the presence of hydrogen, and also the ionicity of hydrogen in metals, but so far our study has been limited to pure FeTi. FeTi has the CsCl structure and thus Fe and Ti scatter with a phase difference of π into the 100-ref lections. Because Fe (Z = 26) is higher in the periodic system than Ti (Z = 22), an immediate “guess” would be that Fe has a larger scattering amplitude than Ti. However, relativistic Hartree-Fock calculations show that the opposite is the case for the 100-reflection. An explanation for this may be sought in the stronger localization of the d-electrons of the first row transition elements when moving to the right in the periodic table. The tabulated difference between fTi (100) and ffe (100) is small, however, and based on the values of the scattering amplitude for isolated atoms, the kinematical intensity of the 100-reflection is only 5.10-4 of the intensity of the 200-reflection.

An atomic-resolution microscope study of Al contracts on GaAs

1986 ◽  
Vol 44 ◽  
pp. 726-727
Author(s):  
Z. Liliental-Weber ◽  
C. Nelson ◽  
R. Ludeke ◽  
R. Gronsky ◽  
J. Washburn
Keyword(s):  
High Speed ◽  
Schottky Contacts ◽  
Detailed Knowledge ◽  
The Past ◽  
Semiconductor Interfaces ◽  
Deposited Metal ◽  
Microwave Applications ◽  
Free Interfaces ◽  
Potential Use

The properties of metal/semiconductor interfaces have received considerable attention over the past few years, and the Al/GaAs system is of special interest because of its potential use in high-speed logic integrated optics, and microwave applications. For such materials a detailed knowledge of the geometric and electronic structure of the interface is fundamental to an understanding of the electrical properties of the contact. It is well known that the properties of Schottky contacts are established within a few atomic layers of the deposited metal. Therefore surface contamination can play a significant role. A method for fabricating contamination-free interfaces is absolutely necessary for reproducible properties, and molecularbeam epitaxy (MBE) offers such advantages for in-situ metal deposition under UHV conditions

Direct imaging of charge transfer

1996 ◽  
Vol 54 ◽  
pp. 680-681
Author(s):  
Yimei Zhu ◽  
J. Tafto
Keyword(s):  
Charge Transfer ◽  
Electron Diffraction ◽  
Scattering Amplitude ◽  
High Temperature Superconductors ◽  
Charge Carriers ◽  
Image Charge ◽  
Net Charge ◽  
Long Time ◽  
Electron Holes ◽  
First Time

The electron holes confined to the CuO2-plane are the charge carriers in high-temperature superconductors, and thus, the distribution of charge plays a key role in determining their superconducting properties. While it has been known for a long time that in principle, electron diffraction at low angles is very sensitive to charge transfer, we, for the first time, show that under a proper TEM imaging condition, it is possible to directly image charge in crystals with a large unit cell. We apply this new way of studying charge distribution to the technologically important Bi2Sr2Ca1Cu2O8+δ superconductors.Charged particles interact with the electrostatic potential, and thus, for small scattering angles, the incident particle sees a nuclei that is screened by the electron cloud. Hence, the scattering amplitude mainly is determined by the net charge of the ion. Comparing with the high Z neutral Bi atom, we note that the scattering amplitude of the hole or an electron is larger at small scattering angles. This is in stark contrast to the displacements which contribute negligibly to the electron diffraction pattern at small angles because of the short g-vectors.

High-resolution z-contrast imaging of semiconductor interfaces

1989 ◽  
Vol 47 ◽  
pp. 468-469
Author(s):  
S. J. Pennycook
Keyword(s):  
High Resolution ◽  
Phase Contrast ◽  
Contrast Imaging ◽  
Compositional Modulation ◽  
Semiconductor Interfaces ◽  
Complex Figure ◽  
Thin Region ◽  
Stem Image ◽  
Annular Detector ◽  
Z Contrast

Using a high-angle annular detector on a high-resolution STEM it is possible to form incoherent images of a crystal lattice characterized by strong atomic number or Z contrast. Figure 1 shows an epitaxial Ge film on Si(100) grown by oxidation of Ge-implanted Si. The image was obtained using a VG Microscopes' HB501 STEM equipped with an ultrahigh resolution polepiece (Cs ∽1.2 mm, demonstrated probe FWHM intensity ∽0.22 nm). In both crystals the lattice is resolved but that of Ge shows much brighter allowing the interface to be located exactly and interface steps to be resolved (arrowed). The interface was indistinguishable in the phase-contrast STEM image from the same region, and even at higher resolution the location of the interface is complex. Figure 2 shows a thin region of an MBE-grown ultrathin super-lattice (Si8Ge2)100. The expected compositional modulation would show as one bright row of dots from the 2 Ge monolayers separated by 4 rows of lighter Si columns. The image shows clearly that strain-induced interdiffusion has occurred on the monolayer scale.

Efficient and stable charge transfer channels for photocatalytic water splitting activity of CdS without sacrificial agents

2020 ◽  
Vol 8 (40) ◽  
pp. 20963-20969 ◽  
Author(s):  
Wei Chen ◽  
Guo-Bo Huang ◽  
Hao Song ◽  
Jian Zhang
Keyword(s):  
Charge Transfer ◽  
Water Splitting ◽  
Photocatalytic Water Splitting ◽  
Transfer Channel ◽  
Efficient Charge ◽  
Transfer Channels

An efficient charge transfer channel for improving the photocatalytic water splitting activity and durability of CdS without sacrificial agents.

Dynamic adjustment of emission from both singlets and triplets: the role of excited state conformation relaxation and charge transfer in phenothiazine derivates

2021 ◽  
Author(s):  
Weidong Qiu ◽  
Xinyi Cai ◽  
Mengke Li ◽  
Liangying Wang ◽  
Yanmei He ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Intramolecular Charge Transfer ◽  
Dynamic Adjustment ◽  
Twisted Intramolecular Charge Transfer

Dynamic adjustment of emission behaviours by controlling the extent of twisted intramolecular charge transfer character in excited state.

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