Abstract

Thin-film CdS layers obtained by the open evaporation method in vacuum are considered and cluster models for calculation of crystal, band structure and thermodynamic parameters are proposed. The thermodynamic parameters of the formation energy ΔE, enthalpy of formation ΔH, Gibbs energy ΔG, entropy ΔS and specific heat capacities at constant pressure and volume for cubic and hexagonal crystallographic modifications are determined. The stable crystal structure for cadmium sulfide was determined from the analysis of Gibbs energy temperature dependences for the sphalerite and wurtzine phases.

Highlights

  • The development of photovoltaics in recent years is characterized by two trends: cheaper final photovoltaic systems (1) and increasing of energy conversion efficiency (2) [1]

  • The expected effectiveness of the latter, in particular, reaches 28-30 % [11]. This is what causes the development of research on both heterostructures for photoelectric energy conversion and the study of technology, electrical, photoelectric, and structural properties of a separate layers of such heterosystems

  • This paper proposes the study of the properties of the CdS layer obtained by the physical vacuum deposition method

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Summary

Introduction

The development of photovoltaics in recent years is characterized by two trends: cheaper final photovoltaic systems (1) and increasing of energy conversion efficiency (2) [1]. The expected effectiveness of the latter, in particular, reaches 28-30 % [11] This is what causes the development of research on both heterostructures for photoelectric energy conversion and the study of technology, electrical, photoelectric, and structural properties of a separate layers of such heterosystems. That is why there are a large number of studies of different characteristics of the CdS/CdTe type heterosystem [16,17,18] The efficiency of such systems is 15.8% at the 50 nm thickness of the CdS layer [19]. This paper proposes the study of the properties of the CdS layer obtained by the physical vacuum deposition method Such technologies are quite simple and cheap. The thickness of the films was set by the deposition time and controlled by a profilometer

Ab initio modeling of crystal structure and electron distribution
Experiment
Calculation of thermodynamic parameters
Results and discussion
Conclusions
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