Lattice stability and limits to charge transfer in intercalated graphite

1981 ◽  
Vol 23 (10) ◽  
pp. 5576-5580 ◽  
Author(s):  
J. E. Fischer ◽  
A. Metrot ◽  
P. J. Flanders ◽  
W. R. Salaneck ◽  
C. F. Brucker
Keyword(s):  
Charge Transfer ◽  
Lattice Stability ◽  
Intercalated Graphite

Charge transfer and the nature of empty states in potassium-intercalated graphite

1990 ◽  
Vol 41 (9) ◽  
pp. 5519-5523 ◽  
Author(s):  
G. Loupias ◽  
S. Rabii ◽  
J. Tarbès ◽  
S. Nozières ◽  
R. C. Tatar
Keyword(s):  
Charge Transfer ◽  
Intercalated Graphite

Charge transfer in stage-1OsF6- andMoF6-intercalated graphite compounds

1987 ◽  
Vol 35 (9) ◽  
pp. 4522-4525 ◽  
Author(s):  
I. Ohana ◽  
D. Vaknin ◽  
H. Selig ◽  
Y. Yacoby ◽  
D. Davidov
Keyword(s):  
Charge Transfer ◽  
Intercalated Graphite

Electronic Structure and Charge Transfer in the Ternary Intercalated Graphite β-KS0.25C3

2006 ◽  
Vol 45 (23) ◽  
pp. 9387-9393
Author(s):  
Antonio Rodríguez-Fortea ◽  
Carme Rovira ◽  
Pablo Ordejón ◽  
Claire Hérold ◽  
Philippe Lagrange ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Intercalated Graphite

Electronic charge transfer in stage-2 fluorine-intercalated graphite compounds

1988 ◽  
Vol 38 (17) ◽  
pp. 12627-12632 ◽  
Author(s):  
I. Ohana ◽  
I. Palchan ◽  
Y. Yacoby ◽  
D. Davidov ◽  
H. Selig
Keyword(s):  
Charge Transfer ◽  
Electronic Charge ◽  
Intercalated Graphite ◽  
Electronic Charge Transfer

Change of C–C Bond Length in Layers of Graphite Upon Charge Transfer

1982 ◽  
Vol 20 ◽  
Author(s):  
Miklos Kertesz ◽  
Ferenc Vonderviszt ◽  
Roald Hoffman
Keyword(s):  
Charge Transfer ◽  
Carbon Atom ◽  
Fermi Level ◽  
Bond Length ◽  
Tight Binding ◽  
Carbon Bond ◽  
Bond Lengths ◽  
Intercalated Graphite ◽  
Carbon Carbon Bond ◽  
Q Values

ABSTRACTTight binding crystal orbital calculations on infinite layers of graphite have been performed for charge transfer (q) values ranging from −0.15 to +0.15 e/carbon atom. The rC-C carbon-carbon bond lengths have been optimized at several q values. The change of the calculated rC-C values as a function of q fits very well with the experimentally observed variations of the C-C bond lengths of both acceptor and donor compounds of intercalated graphite. The asymmetry of the variation of rC-c with respect to the sign of the charge transfer is related to the slightly antibonding nature (at the level of second neighbor interactions) of the π-electrons around the Fermi level of pristine graphite, similar to those in polyacetylene.

Charge transfer in No2AsF6 intercalated graphite

1983 ◽  
Vol 8 (1-2) ◽  
pp. 177-181 ◽  
Author(s):  
L. Mattix ◽  
J. Milliken ◽  
H.A. Resing ◽  
J. Mintmire ◽  
D.C. Weber
Keyword(s):  
Charge Transfer ◽  
Intercalated Graphite

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.

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.

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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