Revealing the structural, elastic and thermodynamic properties of CdSexTe1−x (x = ​0, 0.25, 0.5, 0.75, 1)

Jamal, M.; Abu-Jafar, Mohammed S.; Reshak, A.H.

doi:10.1016/j.jallcom.2016.01.148

Cited by 14 publications

(6 citation statements)

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For CdSe and CdTe NC active layers, there are no obvious boundaries in the entire two different thin films. The measured lattice parameter for the CdSe x Te 1− x grain is d = 3.89 Å, which is consistent with the value in previous literatures . The whole CdTe and CdSe active layers combine into a homogeneous CdSe x Te 1− x alloy film, which is very important to improve the lifetime of photogenerated carriers and device performance.…”

Section: Resultssupporting

confidence: 89%

Interface Engineering for Both Cathode and Anode Enables Low‐Cost Highly Efficient Solution‐Processed CdTe Nanocrystal Solar Cells

Rong

Guo

Lian

et al. 2019

Adv Funct Materials

View full text Add to dashboard Cite

Low‐cost solution‐processed CdTe nanocrystal (NC) solar cells always suffer from a high interface energy barrier and unbalanced hole/electron transport as well as anisotropic atom diffusion on the CdTe surface due to the limited amount of hole/electron interface materials or the difficulty in interface processing. In this work, a novel strategy is first adopted with gradient electron transport layer (CdS/CdSe) modification in the cathode and a new crosslinkable hole transport polymer (P‐TPA) implantation in the anode. The carrier recombination at interfaces is greatly decreased and thus the carrier collection is increased. Moreover, the light harvesting is improved both in short and long wavelength regions, making Jsc and Voc increase simultaneously. A champion solar cell shows a very high power conversion efficiency of 9.2% and an outstanding Jsc of 25.31 mA cm−2, which are among the highest values for all solution‐processed CdTe NC solar cells with a superstrate structure, and the latter value is even higher than that of traditional thick CdTe thin‐film solar cells (2 µm) via the high temperature close space sublimation method. This work demonstrates that facile surface modifications in both the cathode and anode with stepped extraction and organic–inorganic hybridization are very promising in constructing next‐generation highly efficient NC photovoltaic devices.

show abstract

Section: Resultssupporting

confidence: 89%

Interface Engineering for Both Cathode and Anode Enables Low‐Cost Highly Efficient Solution‐Processed CdTe Nanocrystal Solar Cells

Rong

Guo

Lian

et al. 2019

Adv Funct Materials

View full text Add to dashboard Cite

show abstract

“…The elastic anisotropy parameter A plays an imperative character in manufacturing disciplines. It is known as: [67] A…”

Section: Mechanical Propertiesmentioning

confidence: 99%

First Principles Investigation of Fluorine Based Strontium Series of Perovskites

Erum

Iqbal

2016

Commun. Theor. Phys.

View full text Add to dashboard Cite

Density functional theory is used to explore structural, elastic, and mechanical properties of SrLiF3, SrNaF3, SrKF3 and SrRbF3 fluoroperovskite compounds by means of an ab-initio Full Potential-Linearized Augmented Plane Wave (FP-LAPW) method. Several lattice parameters are employed to obtain accurate equilibrium volume (Vo). The resultant quantities include ground state energy, elastic constants, shear modulus, bulk modulus, young's modulus, cauchy's pressure, poisson's ratio, shear constant, ratio of elastic anisotropy factor, kleinman's parameter, melting temperature, and lame's coefficient. The calculated structural parameters via DFT as well as analytical methods are found to be consistent with experimental findings. Chemical bonding is used to investigate corresponding chemical trends which authenticate combination of covalent-ionic behavior. Furthermore electron density plots as well as elastic and mechanical properties are reported for the first time which reveals that fluorine based strontium series of perovskites are mechanically stable and posses weak resistance towards shear deformation as compared to resistance towards unidirectional compression while brittleness and ionic behavior is dominated in them which decreases from SrLiF3 to SrRbF3. Calculated cauchy's pressure, poisson's ratio and B/G ratio also proves ionic nature in these compounds. The present methodology represents an effective and influential approach to calculate the whole set of elastic and mechanical parameters which would support to understand various physical phenomena and empower device engineers for implementing these materials in numerous applications.

show abstract

“…[43] Combining the Voigt and Reuss limits with a weight parameter is utilized for representing an intermediate condition. [44] The following formulae are used to calculate the anisotropy factor (A), Poisson's ratio, and Cauchy's pressure. They are expressed as and, Cauchy's pressure;…”

Section: Elastic Propertiesmentioning

confidence: 99%

First‐Principles Investigations of Structural, Electronic, and Elastic Properties of ZrSiO₃ Perovskite: Layer Dependence, Surface Termination, and Pressure Effects

Pokharel,

Yadav,

Pantha

et al. 2024

Physica Status Solidi (b)

View full text Add to dashboard Cite

Zirconium silicate (ZrSiO3) perovskite is a promising material for various technological applications. The structural, electronic, and thermodynamic properties of ZrSiO3 perovskite are studied under different conditions, including pressure and layer configuration variations using density functional theory. The present investigation includes a thorough analysis of 2D perovskite derivatives derived from its basic 3D structure. The bulk and surface‐terminated silicon‐dominant SiO2 and zirconium‐dominant ZrO compounds are found to be mechanically stable with an anisotropy factor above 1. The calculated indirect‐bandgap values for the ZrO termination and SiO2 termination are found to be 2.585 and 1.639 eV, respectively. Moreover, the pore size of the SiO2‐terminated slab model of ZrSiO3 is calculated to be 105.39 μm and that for ZrO‐termination to be 129.30 μm. Thus, the material considered for the study can have potential applications in bone regeneration and tissue engineering. Further, the possibilities for modifying ZrSiO3 for uses in electrical devices, sensors, sustainable energy materials, and even biomedical applications like tissue engineering are intriguingly expanded by the present findings.

show abstract

Revealing the structural, elastic and thermodynamic properties of CdSexTe1−x (x = 0, 0.25, 0.5, 0.75, 1)

Cited by 14 publications

References 45 publications

Interface Engineering for Both Cathode and Anode Enables Low‐Cost Highly Efficient Solution‐Processed CdTe Nanocrystal Solar Cells

Interface Engineering for Both Cathode and Anode Enables Low‐Cost Highly Efficient Solution‐Processed CdTe Nanocrystal Solar Cells

First Principles Investigation of Fluorine Based Strontium Series of Perovskites

First‐Principles Investigations of Structural, Electronic, and Elastic Properties of ZrSiO₃ Perovskite: Layer Dependence, Surface Termination, and Pressure Effects

Contact Info

Product

Resources

About

Revealing the structural, elastic and thermodynamic properties of CdSexTe1−x (x = ​0, 0.25, 0.5, 0.75, 1)

Cited by 14 publications

References 45 publications

Interface Engineering for Both Cathode and Anode Enables Low‐Cost Highly Efficient Solution‐Processed CdTe Nanocrystal Solar Cells

Interface Engineering for Both Cathode and Anode Enables Low‐Cost Highly Efficient Solution‐Processed CdTe Nanocrystal Solar Cells

First Principles Investigation of Fluorine Based Strontium Series of Perovskites

First‐Principles Investigations of Structural, Electronic, and Elastic Properties of ZrSiO3 Perovskite: Layer Dependence, Surface Termination, and Pressure Effects

Contact Info

Product

Resources

About

Revealing the structural, elastic and thermodynamic properties of CdSexTe1−x (x = 0, 0.25, 0.5, 0.75, 1)

First‐Principles Investigations of Structural, Electronic, and Elastic Properties of ZrSiO₃ Perovskite: Layer Dependence, Surface Termination, and Pressure Effects