Prediction method of phase-transition temperature of VO2 materials in properties modified by nitrogen and phosphorus doping

Abstract

The invention discloses a prediction method of phase-transition temperature of VO2 materials in properties modified by nitrogen and phosphorus doping. The method comprises the steps of firstly, selecting nitrogen and phosphorus to mingle with VO2 materials and forming multiple VO2 element discrepancy models mingled with elements in different types and out-phase; secondly, by using optimization simulation software to conduct structural optimization on the VO2 element discrepancy models, obtaining the types of optimized doping elements according to formation energy of VO2 models of different elemental doping; thirdly, choosing different adulteration proportions of nitrogen and phosphorus in VO2 materials to form multiple VO2 proportion discrepancy models in different adulteration proportions; fourthly, by using optimization simulation software to conduct structural optimization on the VO2 proportion discrepancy models, forming variables by which phase-transition temperature can be calculated and combined with the state density map according to the formation energy of the VO2 element discrepancy models and the VO2 proportion discrepancy models, then obtaining an proportion of the optimized doping elements. The prediction method of phase-transition temperature of VO2 materials in properties modified by nitrogen and phosphorus doping has the advantages of providing fast calculation and accurate results, certifying and analyzing test results, and offering theoretical directions for selection and proportion of VO2 doping elements.

Description

technical field [0001] The present invention relates to the field of energy-saving intelligent windows, in particular to a kind of N, P element doped modified VO 2 Methods for Predicting Phase Transition Temperatures of Materials. Background technique [0002] With the consumption of energy resources in our country, energy saving and environmental protection are imminent. At present, China's building energy consumption accounts for about 27% of the total energy consumption of the society. In building energy consumption, the energy consumption of glass doors and windows accounts for 40% to 50% of the total building energy consumption. Therefore, the energy saving of windows is a problem that needs to be solved in building energy saving. [0003] Smart window glass refers to a kind of glass that can automatically adjust the optical properties of the glass according to the ambient temperature, sunlight intensity, etc. When the indoor temperature is low, it can allow sunlight ...

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Problems solved by technology

[0006] The technical problem to be solved by the present invention is that it is difficult to determine VO in the prior art 2 The defect of the optimal ratio of material doping elements provides a kind of N, P element doping modified VO 2 Prediction Method of Material Phase Transition Temperature

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