The electronic theory of the alloy systems composed of alkali metal elements. I. Bulk properties of CsK, CsRb, and RbK solid solutions

1981 ◽  
Vol 107 (2) ◽  
pp. 761-768 ◽  
Author(s):  
T. Soma ◽  
H. Matsuo ◽  
Y. Kohbu
Keyword(s):  
Alkali Metal ◽  
Solid Solutions ◽  
Bulk Properties ◽  
Metal Elements ◽  
Electronic Theory ◽  
Alloy Systems

scholarly journals Ab initio study of optical and bulk properties of cesium lead halide perovskite solid solutions

2019 ◽  
Vol 33 (31) ◽  
pp. 1950386
Author(s):  
Vladimir Saleev ◽  
Alexandra Shipilova
Keyword(s):  
Solid Solutions ◽  
First Principles ◽  
Disordered Systems ◽  
Density Functional ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Bulk Properties ◽  
The Density Functional Theory ◽  
Halide Perovskite ◽  
Lead Halide

The first-principles calculations of band gaps and bulk moduli of cesium lead halide perovskite solid solutions, [Formula: see text] and [Formula: see text], are performed at the level of general gradient approximation of the density functional theory. We use supercell approach for computational modeling of disordered systems, which gives a description of the properties of the structure baasing on the average over a set of multiple configurations, namely distributions of different species over a given set of atomic positions. The calculations were performed with the CRYSTAL14 program package. The dependence of the band gap and bulk modulus on the content [Formula: see text] are investigated over the whole range [Formula: see text].

Thermodynamic analysis and reaction behaviors of alkali metal elements during iron ore sintering

2018 ◽  
Vol 26 (6) ◽  
pp. 558-566 ◽  
Author(s):  
Xiao-hui Fan ◽  
Yan-nan Wang ◽  
Min Gan ◽  
Zhi-yun Ji ◽  
Yang Zhou ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Thermodynamic Analysis ◽  
Iron Ore ◽  
Metal Elements ◽  
Iron Ore Sintering ◽  
Ore Sintering

scholarly journals Applied Trace Alkali Metal Elements for Semiconductor Property Modulation of Perovskite Thin Films

Molecules ◽  
2019 ◽  
Vol 24 (22) ◽  
pp. 4039 ◽  
Author(s):  
Chuangchuang Chang ◽  
Xiaoping Zou ◽  
Jin Cheng ◽  
Tao Ling ◽  
Yujun Yao ◽  
...  
Keyword(s):  
Solar Cells ◽  
Alkali Metal ◽  
Perovskite Solar Cells ◽  
Strong Support ◽  
Perovskite Layer ◽  
Majority Carrier ◽  
Metal Elements ◽  
Main Work ◽  
Metal Element ◽  
P Type

With the rapid consumption of energy, clean solar energy has become a key study and development subject, especially the when new renewable energy perovskite solar cells (PSCs) are involved. The doping method is a common means to modulate the properties of perovskite film. The main work of this paper is to incorporate trace amounts of alkali metal elements into the perovskite layer and observe the effects on the properties of the perovskite device and the majority carrier type of the perovskite film. Comparative analysis was performed by doping with Na+, K+, and Rb+ or using undoped devices in the perovskite layer. The results show that the incorporation of alkali metal ions into the perovskite layer has an important effect on the majority carrier type of the perovskite film. The majority carrier type of the undoped perovskite layer is N-type, and the majority carrier type of the perovskite layer doped with the alkali metal element is P-type. The carrier concentration of perovskite films is increased by at least two orders of magnitude after doping. That is to say, we can control the majority of the carrier type of the perovskite layer by controlling the doping subjectively. This will provide strong support for the development of future homojunction perovskite solar cells. This is of great help to improve the performance of PSC devices.

Chemically driven surface effects in polar intermetallic topological insulators A3Bi

2018 ◽  
Vol 20 (41) ◽  
pp. 26372-26385 ◽  
Author(s):  
I. P. Rusinov ◽  
P. Golub ◽  
I. Yu. Sklyadneva ◽  
A. Isaeva ◽  
T. V. Menshchikova ◽  
...  
Keyword(s):  
Alkali Metal ◽  
General Formula ◽  
Chemical Bonding ◽  
Electronic Spectra ◽  
Topological Insulators ◽  
Surface Effects ◽  
Bulk Properties ◽  
Polar Intermetallics ◽  
Bonding Characteristics ◽  
Bonding Patterns

Surface electronic spectra, surface and bulk properties as well as the underlying chemical bonding characteristics in topological insulators with complex bonding patterns are considered for the example of cubic, polar intermetallics KNa2Bi, K3Bi and Rb3Bi (with the general formula A3Bi, A – alkali metal).

scholarly journals A series of alkali metal elements doped La2Ce2O7 electrolytes for solid oxide fuel cells

2021 ◽  
pp. 107026
Author(s):  
Mohan Zhang ◽  
Di Wang ◽  
Lina Miao ◽  
Zongzi Jin ◽  
Kuan Dong ◽  
...  
Keyword(s):  
Fuel Cells ◽  
Alkali Metal ◽  
Solid Oxide Fuel Cells ◽  
Solid Oxide ◽  
Oxide Fuel ◽  
Metal Elements

Interionic potentials for the alkali metal chlorides

1976 ◽  
Vol 54 (24) ◽  
pp. 3839-3849 ◽  
Author(s):  
J. Corish ◽  
Brenda M. C. Parker ◽  
P. W. M. Jacobs
Keyword(s):  
Dielectric Properties ◽  
Alkali Metal ◽  
Alkali Halides ◽  
Intrinsic Defect ◽  
Alkali Metal Chlorides ◽  
Metal Chlorides ◽  
Bulk Properties ◽  
Nearest Neighbours ◽  
Interionic Potential ◽  
Central Forces

Various models for the interionic potential in the alkali metal chlorides have been examined. The parameters in these potentials have been determined by fitting the equilibrium, elastic and dielectric properties of each substance. The potentials are compared graphically with each other, with the theoretically derived potentials of Kim and Gordon (1,2) and with a potential derived earlier by Catlow, Diller, and Norgett (3) by fitting the properties of sixteen alkali halides simultaneously. Intrinsic defect properties of the four chlorides have been calculated from these potentials. The results show that while it is possible to derive adequate two-body potentials for these salts from fitting their bulk properties, it is concluded, as found earlier by Catlow, Diller, and Norgett (3), that such potentials need to have the anion–cation interaction hardened by neglecting completely the Van der Waals interaction between nearest neighbours. Inclusion of non-central forces does not improve the potential, as judged by the criterion of the results of defect calculations.

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