The Electronic and the Ionic Contribution to the Free Energy of Alkali Metals in Intercalation Compounds

1994 ◽  
Vol 141 (9) ◽  
pp. 2297-2300 ◽  
Author(s):  
H. Gerischer ◽  
F. Decker ◽  
B. Scrosati
Keyword(s):  
Free Energy ◽  
Alkali Metals ◽  
Intercalation Compounds ◽  
Ionic Contribution

scholarly journals Exploring the Formation of Black Phosphorus Intercalation Compounds with Alkali Metals

2017 ◽  
Vol 56 (48) ◽  
pp. 15267-15273 ◽  
Author(s):  
Gonzalo Abellán ◽  
Christian Neiss ◽  
Vicent Lloret ◽  
Stefan Wild ◽  
Julio C. Chacón-Torres ◽  
...  
Keyword(s):  
Alkali Metals ◽  
Black Phosphorus ◽  
Intercalation Compounds

Synthesis and Structure of BxC1−x Intercalation Compounds with Heavy Alkali Metals (K, Rb, and Cs)

2000 ◽  
Vol 15 (6) ◽  
pp. 1409-1416
Author(s):  
L. Duclaux ◽  
F. Béguin ◽  
B. Ottaviani ◽  
S. Flandrois
Keyword(s):  
Alkali Metals ◽  
Liquid Ammonia ◽  
Stage Structure ◽  
Metal Vapor ◽  
Treatment Temperature ◽  
Intercalation Compounds ◽  
Host Material ◽  
Alkali Metal Vapor ◽  
Heat Treated ◽  
Pure Carbon

BxC1−x (x = 0.1 and 0.25) oriented platelets were intercalated with alkali metal vapor (M = K, Rb, Cs), giving first-stage M(B0.1C0.9)8 and M(B0.25C0.75)10. The presence of M(BxC1−x)5 dense domains interstratified in the first-stage structure were brought out from the 00.ℓ simulations. The presence of these domains is attributed to the acceptor electron effect of boron, which slightly enhances the intercalation rate as compared to pure carbon. Intercalation of Cs in liquid ammonia is improved using 1600 °C heat-treated B0.25C0.75 as a host material, and the composition Cs(B0.25C0.75)12 is reached after intercalation. In intercalation compounds of Cs in liquid ammonia obtained from heat-treated B0.25C0.75, as the heat-treatment temperature (HTT) was increased from 1600 to 2000 °C, the segregation of first stage was observed in two structures Cs(BxC1−x)8 and Cs(BxC1−x)10 with the respective 2 × 2 0° and 2.23 × 2.23 two-dimensional lattices of the cesium atoms. The presence of these two structures is assigned to the heterogeneity of the host material induced by the formation of B4C boron carbide domains and the consecutive boron elimination of the BxC1−x lamellar phase with increasing HTT.

scholarly journals Preparation of Alkali Metal-graphite Intercalation Compounds in the Solutions of Alkali Metals Dissolved in Dimethoxymethane or Diethoxyethane

TANSO ◽  
1998 ◽  
Vol 1998 (185) ◽  
pp. 262-265 ◽  
Author(s):  
Yasuo Mizutani ◽  
Takeshi Abe ◽  
Kazuhiro Ikeda ◽  
Minoru Inaba ◽  
Zempachi Ogumi ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Alkali Metals ◽  
Intercalation Compounds ◽  
Graphite Intercalation Compounds ◽  
Graphite Intercalation

Structure and superconductivity of the intercalation compounds of TiNCl with pyridine and alkali metals as intercalants

2009 ◽  
Vol 19 (17) ◽  
pp. 2573 ◽  
Author(s):  
Shoji Yamanaka ◽  
Toshihiro Yasunaga ◽  
Kosuke Yamaguchi ◽  
Masahiro Tagawa
Keyword(s):  
Alkali Metals ◽  
Intercalation Compounds

scholarly journals Exploring the Formation of Black Phosphorus Intercalation Compounds with Alkali Metals

2017 ◽  
Vol 129 (48) ◽  
pp. 15469-15475 ◽  
Author(s):  
Gonzalo Abellán ◽  
Christian Neiss ◽  
Vicent Lloret ◽  
Stefan Wild ◽  
Julio C. Chacón-Torres ◽  
...  
Keyword(s):  
Alkali Metals ◽  
Black Phosphorus ◽  
Intercalation Compounds

scholarly journals Diffusion of alkali metals in the first stage graphite intercalation compounds by vdW-DFT calculations

RSC Advances ◽  
2015 ◽  
Vol 5 (21) ◽  
pp. 15985-15992 ◽  
Author(s):  
Zhaohui Wang ◽  
Arne Petter Ratvik ◽  
Tor Grande ◽  
Sverre M. Selbach
Keyword(s):  
Dft Calculations ◽  
Alkali Metals ◽  
Diffusion Constant ◽  
Intercalation Compounds ◽  
Interlayer Distance ◽  
Graphite Intercalation Compounds ◽  
Graphite Intercalation

The diffusion constant of alkali metals in graphite intercalation compounds is proportional to the graphene interlayer distance.

scholarly journals Temperature dependence of the Helmholtz free energy of liquid alkali metals

BIBECHANA ◽  
2012 ◽  
Vol 9 ◽  
pp. 7-12
Author(s):  
BK Singh ◽  
Sudhir Singh
Keyword(s):  
Free Energy ◽  
Correlation Function ◽  
Variational Method ◽  
Temperature Dependence ◽  
Alkali Metals ◽  
Helmholtz Free Energy ◽  
Model Potential ◽  
Type Model ◽  
Liquid Alkali Metals ◽  
Good Agreement

The Gibbs-Bogoliubov variational method has been considered to study the Helmholtz free energy of liquid alkali metals (Na, K, Rb and Cs) as a function of temperature, using Heine Abarenkov type model potential with Hubbard-Sham exchange and correlation function. The computed values are in very good agreement with experimental observations. DOI: http://dx.doi.org/10.3126/bibechana.v9i0.7144 BIBECHANA 9 (2013) 7-12

scholarly journals Investigation of some basic thermodynamic properties of Na-K alloy

BIBECHANA ◽  
2021 ◽  
Vol 18 (2) ◽  
pp. 1-8
Author(s):  
Rajesh C Malan ◽  
Aditya M Vora
Keyword(s):  
Free Energy ◽  
Thermodynamic Properties ◽  
Local Field ◽  
Alkali Metals ◽  
Helmholtz Free Energy ◽  
Correlation Effect ◽  
The Other ◽  
Pseudopotential Theory ◽  
Local Field Correction ◽  
Energy Components

Investigation of thermodynamic of liquid binary alloys using pseudopotential theory is reported. The potential suggested by Fiolhais et al. with its individual parameters is used for the entire calculation. A transferability of the potential from the solid to liquid medium is achieved for the presently reported binary alloy. The internal energy components, Helmholtz free energy, entropy, and total energy at various proportions of the participating alkali metals are included in the study. The comparison with the other data has been shown in the present article. Exchange and correlation effect is also tested with the help of various local field correction functions. BIBECHANA 18 (2) (2021) 1-8

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