研究目的
Investigating the grain growth and orientation change of CdTe multi-crystallize thin film during chlorine activation and proposing a thermodynamic energy criterion for finding non-toxic substitutes of cadmium chloride.
研究成果
The chlorine activation process of CdTe thin film is effectively studied by experiments and simulated by Monte Carlo method, showing consistency between experimental and simulation results. A thermodynamic energy criterion is proposed for finding non-toxic substitutes of cadmium chloride, with predictions given for potential substitutes.
研究不足
The study focuses on the thermodynamic aspects of chlorine activation and grain growth in CdTe thin films, but the practical application of non-toxic substitutes for cadmium chloride requires further experimental validation.
1：Experimental Design and Method Selection:
The study involves the simulation of the chlorine activation process using Monte-Carlo method combined with annealing algorithm based on thermodynamic energy criterion.
2：Sample Selection and Data Sources:
CdTe films are sputtered at 267℃ with RF power density of
3：32 W/cm2 and target-substrate distance of 12 cm under 2 Pa Ar atmosphere on the substrate of TEC15 (Pilkington) glass. List of Experimental Equipment and Materials:
BRUKER D8 ADVANCE XRD and ZEISS Scanning Electron Microscope are used to characterize the crystal structures of CdTe films. Anaconda with Python
4：6 is used to perform chlorine activation simulation. Experimental Procedures and Operational Workflow:
A 200×200-pixel matrix is created for simulation, where each pixel value stands for one kind of CdTe lattice orientation. The simulation involves grain growth from seeds and chlorine activation simulation by Monte-Carlo method combined with annealing algorithm.
5：Data Analysis Methods:
The study analyzes the grain growth and orientation change through visualized pixel images of simulation and experimental results.
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