Preparation method of zirconium dioxide sensor material and sensor

Abstract

The application relates to the technical field of zirconium dioxide materials, and discloses a preparation method of a zirconium dioxide sensor material and a sensor, which comprises the following steps: establishing a solid physical model containing intrinsic structure and doped structure of zirconium dioxide material; obtaining an energy band structure according to physical model parameters; obtaining the corresponding relationship between the stability of the doped structure and the doping and temperature respectively on the basis of the solid physical model; obtaining the doping position and doping proportion of the doped metal according to the corresponding relationship, adding the doped metal into the zirconium dioxide material, and obtaining a doped zirconium dioxide material; and calcining the doped zirconium dioxide material at 900-1200 DEG C for 2-4 hours to finally obtain a sensor zirconium dioxide material. The application accurately analyzes the corresponding relationship between the stability of the doped zirconium dioxide material and ion doping and temperature, and then the optimal doping position and doping proportion are obtained, the influence of doping on the stability of the material is reduced, the stability of the material is improved, and the limit of material stability preparation is broken.

Description

TECHNICAL FIELD

[0001] The application relates to the technical field of zirconium dioxide materials, in particular to a zirconium dioxide sensor material preparation method and a sensor. BACKGROUND

[0002] Zirconium dioxide (ZrO2) is the main oxide of zirconium, has good electrical, chemical and thermodynamic stability, and is now widely used as a wide band gap material. Meanwhile, the stable structure of zirconium dioxide determines its application value in oxygen sensors, solid oxide fuel cells, catalytic converters and the like. Meanwhile, the good low thermal conductivity, corrosion resistance and good thermal stability of zirconium dioxide also determine that it is the only choice for replacing silicon dioxide as a metal oxide thin film transistor.

[0003] With the continuous deepening of the research on ZrO2 materials, the application value of the ZrO2 materials in rockets, space shuttles, automobile engines, chemical devices and the like is highlighted; in particular, the research and use in high-end fields. However, the stability and reliability of the ZrO2 material oxygen sensor, especially the stability of the electrical performance, cannot well meet the use requirements in special fields, resulting in poor application stability of the zirconium dioxide sensor in special fields.

[0004] Therefore, in view of the poor stability of the ZrO2 material oxygen sensor, which cannot meet the use requirements in special fields, a zirconium dioxide sensor material preparation method and a sensor are provided. SUMMARY

[0005] The application aims to provide a zirconium dioxide sensor material preparation method and a sensor to solve the problem of poor stability of the zirconium dioxide material oxygen sensor in the application in special fields.

[0006] To achieve the above-mentioned purpose, the application adopts the following technical scheme:

[0007] Scheme one

[0008] A zirconium dioxide sensor material preparation method, comprising the following steps:

[0009] Step one, establishing the intrinsic structure of the zirconium dioxide material according to the morphology and microstructure of the zirconium dioxide material, constructing a solid physical model of the doped zirconium dioxide material containing a doped structure according to the intrinsic structure, and obtaining the physical model parameters of the doped zirconium dioxide material;

[0010] Step two, obtaining the energy band structure of the doped zirconium dioxide material according to the physical model parameters;

[0011] Step three, on the basis of the solid physical model, obtaining the corresponding relationship between the stability of the doped zirconium dioxide material and the doping and temperature from the energy band structure according to the first principle of the density functional theory;

[0012] Step four, according to the corresponding relationship, the doping position and doping ratio of the doped metal are obtained, and the doped metal is added into the zirconia material according to the set doping position and doping ratio to obtain a doped zirconia material;

[0013] Step five, the doped zirconia material is calcined at 900-1200℃ for 2-4h to obtain a sensor zirconia material.

[0014] The solid physical model is an ion-electron physical model, and the physical model parameters include the geometric structure, electronic state and electrical properties of the zirconia material and the doping structure.

[0015] Scheme two

[0016] A zirconia sensor is prepared using the zirconia material prepared by the preparation method of the zirconia sensor material according to scheme one.

[0017] The principle and advantages of the present scheme are:

[0018] In the preparation process of the sensor, in order to improve the stability of the sensor, the material composition of the sensor is usually improved, and the stability of the sensor is improved by improving the stability of the material; and generally, the improvement of the material will be from the macroscopic analysis of the material composition and the process flow, different materials are added at different times, and different processing technologies are used to change the chemical properties of the material, so as to achieve the effect of improving the stability or other properties, and it is believed that the chemical properties of the material need to be improved from the perspective of chemical reaction. Directly ignore the physical properties of the material in the process of improving the process, resulting in that there is always a limit to the chemical properties of the material improved by the macroscopic angle, which cannot be broken through, and thus higher demand applications cannot be met.

[0019] This application breaks through the limitation of merely improving material preparation from a macroscopic perspective, instead identifying ways to enhance material stability through the analysis of the material's inherent physical properties. Furthermore, this application employs analysis of the morphology and microstructure of doped zirconium dioxide materials to ensure the construction of an accurate solid-state physical model, clarifying the atomic, electronic, and electron-phonon interactions of the doped zirconium dioxide material, thus guaranteeing the accuracy of the band structure. Secondly, the electronic states and conductivity of the doped zirconium dioxide material are analyzed through the physical model, thereby determining the influence relationship between the electronic states and conductivity of the doped structure. This allows for precise analysis of the correlation between the stability of the doped zirconium dioxide material and ion doping and temperature, ultimately determining the optimal doping location and ratio, improving doping accuracy, minimizing the impact of doping on material stability, and thus improving stability from the material itself, breaking through the limits of material stability preparation. Attached Figure Description

[0020] Figure 1 This is a schematic diagram of the structure of an embodiment of the present invention;

[0021] Figure 2 This is a schematic diagram of the microstructure of the zirconium dioxide material according to an embodiment of the present invention. Detailed Implementation

[0022] The following detailed description illustrates the specific implementation method:

[0023] The basic implementation examples are as follows: Figure 1 The method illustrates a method for preparing zirconium dioxide sensor materials to improve the stability of the electrical properties of doped zirconium dioxide (ZrO2) materials, enabling them to meet the application requirements of specific fields. The method includes the following steps:

[0024] S1, Measurement and analysis were performed on the intrinsic zirconium dioxide crystal material to obtain the morphology and microstructure of the intrinsic structure of the zirconium dioxide material, as shown in the attached figure. Figure 2 As shown, the intrinsic structure of zirconium dioxide can be considered as a cuboid, with two O atoms surrounding each Zr atom, forming an O-Zr-O bond. Due to aggregation, Zr-O-Zr bonds will also form. The bond length Zr-O calculated using the B3P86 / GEN method (using the 6-311++G* basis set for O atoms and the aug-cc-pVZ-PP basis set for Zr atoms) is 0.176 nm, and the bond angle is 108.16°. Based on this, a solid-state physical model of the doped zirconium dioxide material, including the doped structure, is constructed, and the physical model parameters are obtained. The solid-state physical model is an ion-electron physical model, and the physical model parameters include the geometry, electronic states, and electrical properties of the doped zirconium dioxide material. The electrical property refers to the conductivity of the doped zirconium dioxide material.

[0025] The morphology and microstructure are the number of particles, color, overall shape, inter-particle connection relationship, particle bond length, and inter-particle interaction relationship of the doped zirconia material. Specifically, the solid physical model is a Hamiltonian system model written on the basis of the morphology and microstructure, combined with various interactions such as covalent energy of atoms, metallization energy, short-range interaction between atoms, exchange interaction of electrons, and electron-phonon interaction, spin-orbit interaction. The conductivity is determined according to the interaction between electrons and the interaction between electrons and phonons.

[0026] S2, according to the obtained physical model parameters, the energy band structure of the doped zirconia material is analyzed. In this embodiment, the energy band structure of the doped zirconia material is obtained according to the geometric structure and electronic state of the zirconia material; and the inter-particle gap parameter is obtained according to the energy band structure; wherein the electronic state is the motion law of the electron.

[0027] S3, on the basis of the solid physical model, the corresponding relationship between the stability of zirconia and doping and temperature is obtained from the energy band structure according to the first principle of density functional theory.

[0028] Specifically, the following sub-steps are further included:

[0029] S3.1, the electronic state density and Fermi energy parameters of the zirconia material are obtained according to the obtained gap parameters;

[0030] S3.2, the conductivity of the doped zirconia material and the influence relationship of doping on stability are determined according to the electronic state density and Fermi energy parameters;

[0031] S3.3, the corresponding relationship between the stability and the doping coefficient and the temperature is obtained respectively according to the obtained influence relationship, wherein the doping coefficient includes the doping position and the doping proportion.

[0032] S4, the doping position and the doping proportion of the doped metal are obtained according to the corresponding relationship, the doped metal is added into the zirconia material according to the set doping position and doping proportion, and the doped zirconia material is obtained. In this embodiment, the doped metal is a metal cation such as Fe (iron), Mn (manganese), and Co (cobalt), and is continuously added in the form of equal multiple times to ensure sufficient reaction and accurate doping position.

[0033] S5, the doped zirconia material is calcined at 900-1200℃ for 3h, and finally the sensor zirconia material is prepared.

[0034] This embodiment also provides a zirconia sensor, which is obtained by using the sensor zirconia material prepared by the above-mentioned method.

[0035] In this embodiment, when analyzing the stability of the doped zirconia material, the doping effect is analyzed from the perspective of the doping substance, the proportion, time, temperature and elements of the doping are analyzed from a macroscopic perspective, so as to improve the stability of the doped zirconia material. It is believed that the factors for changing the stability of the doped zirconia material depend on the doping substance, thereby falling into the research of the doping substance and the doping parameters. However, the present application deviates from the inherent research direction and analyzes from the perspective of the characteristics of the zirconia material itself, thereby determining the doping parameters. The present application analyzes the doped zirconia material from a non-obvious microscopic perspective, thereby improving the stability of the zirconia material.

[0036] Firstly, the intrinsic structure morphology and microstructure of the zirconia material are analyzed, and on this basis, a physical model of the doped zirconia material containing a doping structure is constructed, so as to ensure the construction of an accurate physical model, to clearly define the geometric structure, electronic state and electrical performance of the doped zirconia material, so as to analyze the atomic interaction, electronic interaction and electron-phonon interaction of the doped zirconia material, and to ensure the accuracy of the data. Secondly, by applying the first principle of density functional theory, combined with the solid physical model, the energy band structure of the doped zirconia material can be further accurately analyzed, so as to obtain the electronic state density and Fermi energy parameters of the doped zirconia material, so as to obtain the relationship between the electrical conductivity of the doped zirconia material and the influence of the doping on the stability, and to further determine the corresponding relationship between the stability and the doping and the temperature, and to accurately find the doping coefficient and temperature that can improve the stability. At the same time, the present application fully considers the doping effect caused by the doping structure, so that the stability of the electrical performance of the doped zirconia material is affected by both the doping atoms and the electron-phonon interaction in the zirconia crystal material. Therefore, according to the specific analysis of the specific relationship between the doping and the electron-phonon interaction, the influencing factors of the stability are further determined, so as to ensure that the obtained stability mechanism is accurate, and to further ensure that the stability of the zirconia material is improved to the greatest extent.

[0037] The above is only an embodiment of the present application, and the specific technical solutions and / or common knowledge of the scheme are not described in detail. It should be noted that, for those skilled in the art, without departing from the technical solutions of the present application, a number of modifications and improvements can be made, which should also be considered as the protection scope of the present application, and these will not affect the effect and practicality of the patent. The protection scope claimed in the present application should be subject to the content of its claims, and the specific implementation mode and the like in the specification can be used to explain the content of the claims.

Claims

1. A method for preparing a zirconium dioxide sensor material, characterized in that The method comprises the following steps: Step one, a solid physical model containing intrinsic structure and doping structure of the zirconia material is established according to the morphology and microstructure of the doped zirconia material, and physical model parameters of the doped zirconia material are obtained; Step two, the energy band structure of the doped zirconia material structure is obtained according to the physical model parameters; Step three, on the basis of the solid physical model, the corresponding relationship between the stability of the doping structure and the doping and temperature is obtained from the energy band structure according to the first principle of the density functional theory; Step four, the doping position and doping proportion of the doped metal are obtained according to the corresponding relationship, and the doped metal is added into the zirconia material according to the set doping position and doping proportion, and a doped zirconia material is obtained; Step five, the doped zirconia material is calcined at 900-1200℃ for 2-4h, and finally a sensor zirconia material is prepared.

2. The method of claim 1, wherein: The solid physical model is an ion-electron physical model, and the physical model parameters include the geometric structure, electronic state and electrical property of the doped zirconia material.

3. The method of claim 2, wherein: In step two, the energy band structure of the doped zirconia material is obtained according to the geometric structure and electronic state of the doped zirconia material, and the gap parameter between particles is obtained according to the energy band structure.

4. The method of claim 3, wherein: The electrical property is the conductivity of the doped zirconia material.

5. The method of claim 4, wherein: In step three, the electronic state density and Fermi energy parameters of the doped zirconia material are obtained according to the gap parameter, the influence relationship between the doping structure conductivity and the stability of the doping structure is determined according to the electronic state density and Fermi energy parameters, and the corresponding relationship between the stability and the doping and temperature is obtained.

6. The method of claim 1, wherein: The doping structure is a metal cation structure.

7. The method of claim 2, wherein: The electronic state is the motion law between electrons.

8. The method of claim 1, wherein: The solid physical model is constructed according to the covalent energy of atoms, metalization energy, short-range interaction between atoms, exchange interaction of electrons, electron-phonon interaction and spin-orbit interaction.

9. The method of claim 4, wherein: The conductivity is determined according to the interaction between electrons and the interaction between electrons and phonons.

10. A zirconium dioxide sensor characterized by: The sensor zirconia material is prepared by the method of any one of claims 1 to 9. The sensor zirconia material is prepared by the method of any one of claims 1 to 9.

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