CN114725408A - Cerium dioxide supported platinum single-atom catalyst and structure design method thereof - Google Patents
Cerium dioxide supported platinum single-atom catalyst and structure design method thereof Download PDFInfo
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- BASFCYQUMIYNBI-UHFFFAOYSA-N platinum Chemical compound [Pt] BASFCYQUMIYNBI-UHFFFAOYSA-N 0.000 title claims abstract description 114
- 229910000422 cerium(IV) oxide Inorganic materials 0.000 title claims abstract description 61
- 239000003054 catalyst Substances 0.000 title claims abstract description 58
- 238000000034 method Methods 0.000 title claims abstract description 27
- 229910052697 platinum Inorganic materials 0.000 title claims abstract description 23
- CETPSERCERDGAM-UHFFFAOYSA-N ceric oxide Chemical compound O=[Ce]=O CETPSERCERDGAM-UHFFFAOYSA-N 0.000 title claims abstract description 21
- 238000013461 design Methods 0.000 title claims abstract description 14
- QVGXLLKOCUKJST-UHFFFAOYSA-N atomic oxygen Chemical compound [O] QVGXLLKOCUKJST-UHFFFAOYSA-N 0.000 claims abstract description 35
- 229910052760 oxygen Inorganic materials 0.000 claims abstract description 35
- 239000001301 oxygen Substances 0.000 claims abstract description 35
- 238000001179 sorption measurement Methods 0.000 claims abstract description 23
- 239000000463 material Substances 0.000 claims abstract description 18
- 230000015572 biosynthetic process Effects 0.000 claims abstract description 15
- 231100000572 poisoning Toxicity 0.000 claims abstract description 14
- 230000000607 poisoning effect Effects 0.000 claims abstract description 14
- 238000006467 substitution reaction Methods 0.000 claims abstract description 11
- 230000007547 defect Effects 0.000 claims abstract description 8
- 239000013078 crystal Substances 0.000 claims abstract description 5
- 230000000052 comparative effect Effects 0.000 claims abstract description 3
- 125000004429 atom Chemical group 0.000 claims description 18
- 229910052684 Cerium Inorganic materials 0.000 claims description 7
- 238000004364 calculation method Methods 0.000 claims description 5
- 125000004430 oxygen atom Chemical group O* 0.000 claims description 5
- -1 modified cerium dioxide Chemical class 0.000 claims description 4
- 102100021164 Vasodilator-stimulated phosphoprotein Human genes 0.000 claims description 3
- 241000341910 Vesta Species 0.000 claims description 2
- GWXLDORMOJMVQZ-UHFFFAOYSA-N cerium Chemical group [Ce] GWXLDORMOJMVQZ-UHFFFAOYSA-N 0.000 claims description 2
- 230000008859 change Effects 0.000 claims description 2
- 239000000446 fuel Substances 0.000 abstract description 13
- 230000003197 catalytic effect Effects 0.000 abstract description 3
- 238000003786 synthesis reaction Methods 0.000 abstract description 3
- 229910000420 cerium oxide Inorganic materials 0.000 description 14
- BMMGVYCKOGBVEV-UHFFFAOYSA-N oxo(oxoceriooxy)cerium Chemical compound [Ce]=O.O=[Ce]=O BMMGVYCKOGBVEV-UHFFFAOYSA-N 0.000 description 14
- 238000006243 chemical reaction Methods 0.000 description 8
- 229910000510 noble metal Inorganic materials 0.000 description 5
- 238000011161 development Methods 0.000 description 4
- 239000001257 hydrogen Substances 0.000 description 4
- 229910052739 hydrogen Inorganic materials 0.000 description 4
- 238000006722 reduction reaction Methods 0.000 description 4
- OKTJSMMVPCPJKN-UHFFFAOYSA-N Carbon Chemical group [C] OKTJSMMVPCPJKN-UHFFFAOYSA-N 0.000 description 3
- 229910052799 carbon Inorganic materials 0.000 description 3
- 238000010276 construction Methods 0.000 description 3
- 230000000694 effects Effects 0.000 description 3
- 238000002474 experimental method Methods 0.000 description 3
- UFHFLCQGNIYNRP-UHFFFAOYSA-N Hydrogen Chemical compound [H][H] UFHFLCQGNIYNRP-UHFFFAOYSA-N 0.000 description 2
- 238000006555 catalytic reaction Methods 0.000 description 2
- 238000009510 drug design Methods 0.000 description 2
- 238000005516 engineering process Methods 0.000 description 2
- 239000007789 gas Substances 0.000 description 2
- 238000004519 manufacturing process Methods 0.000 description 2
- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 0.000 description 2
- 241000282414 Homo sapiens Species 0.000 description 1
- 239000002253 acid Substances 0.000 description 1
- 230000009471 action Effects 0.000 description 1
- 239000003513 alkali Substances 0.000 description 1
- 230000009286 beneficial effect Effects 0.000 description 1
- 230000007797 corrosion Effects 0.000 description 1
- 238000005260 corrosion Methods 0.000 description 1
- 238000010586 diagram Methods 0.000 description 1
- 238000003912 environmental pollution Methods 0.000 description 1
- 239000002638 heterogeneous catalyst Substances 0.000 description 1
- 230000006872 improvement Effects 0.000 description 1
- 230000005012 migration Effects 0.000 description 1
- 238000013508 migration Methods 0.000 description 1
- 239000002105 nanoparticle Substances 0.000 description 1
- 230000001590 oxidative effect Effects 0.000 description 1
- 239000002574 poison Substances 0.000 description 1
- 231100000614 poison Toxicity 0.000 description 1
- 238000010248 power generation Methods 0.000 description 1
- 238000002360 preparation method Methods 0.000 description 1
- 230000009467 reduction Effects 0.000 description 1
- 239000000126 substance Substances 0.000 description 1
- 230000002194 synthesizing effect Effects 0.000 description 1
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- H—ELECTRICITY
- H01—ELECTRIC ELEMENTS
- H01M—PROCESSES OR MEANS, e.g. BATTERIES, FOR THE DIRECT CONVERSION OF CHEMICAL ENERGY INTO ELECTRICAL ENERGY
- H01M4/00—Electrodes
- H01M4/86—Inert electrodes with catalytic activity, e.g. for fuel cells
- H01M4/90—Selection of catalytic material
- H01M4/92—Metals of platinum group
- H01M4/921—Alloys or mixtures with metallic elements
-
- B—PERFORMING OPERATIONS; TRANSPORTING
- B82—NANOTECHNOLOGY
- B82Y—SPECIFIC USES OR APPLICATIONS OF NANOSTRUCTURES; MEASUREMENT OR ANALYSIS OF NANOSTRUCTURES; MANUFACTURE OR TREATMENT OF NANOSTRUCTURES
- B82Y30/00—Nanotechnology for materials or surface science, e.g. nanocomposites
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- H—ELECTRICITY
- H01—ELECTRIC ELEMENTS
- H01M—PROCESSES OR MEANS, e.g. BATTERIES, FOR THE DIRECT CONVERSION OF CHEMICAL ENERGY INTO ELECTRICAL ENERGY
- H01M4/00—Electrodes
- H01M4/86—Inert electrodes with catalytic activity, e.g. for fuel cells
- H01M4/90—Selection of catalytic material
- H01M4/92—Metals of platinum group
- H01M4/925—Metals of platinum group supported on carriers, e.g. powder carriers
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- H—ELECTRICITY
- H01—ELECTRIC ELEMENTS
- H01M—PROCESSES OR MEANS, e.g. BATTERIES, FOR THE DIRECT CONVERSION OF CHEMICAL ENERGY INTO ELECTRICAL ENERGY
- H01M4/00—Electrodes
- H01M4/86—Inert electrodes with catalytic activity, e.g. for fuel cells
- H01M2004/8678—Inert electrodes with catalytic activity, e.g. for fuel cells characterised by the polarity
- H01M2004/8689—Positive electrodes
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- Y—GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS
- Y02—TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINST CLIMATE CHANGE
- Y02E—REDUCTION OF GREENHOUSE GAS [GHG] EMISSIONS, RELATED TO ENERGY GENERATION, TRANSMISSION OR DISTRIBUTION
- Y02E60/00—Enabling technologies; Technologies with a potential or indirect contribution to GHG emissions mitigation
- Y02E60/30—Hydrogen technology
- Y02E60/50—Fuel cells
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- Nanotechnology (AREA)
- Chemical Kinetics & Catalysis (AREA)
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- General Chemical & Material Sciences (AREA)
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Abstract
The invention discloses a cerium dioxide supported platinum monatomic catalyst and a structure design method thereof, belonging to the field of energy catalytic materials. CeO of the catalyst2Surface is<111>Orientation; pt1The single atom loading position is CeO2Ce substitution of the surface; in CeO2The surface introduces oxygen vacancy to improve the CO poisoning resistance of the catalyst, and the structure design method comprises the following steps: (1) establishing CeO of different crystal face orientations2A surface model; (2) comparative Pt1CeO with mono-atoms in different orientations2Degree of stability at different load locations on the surface; (3) by CeO2Oxygen vacancy defect is introduced to the surface of Pt1Regulating and controlling the stability of the single atom; (4) calculate and compare the above Pt1@CeO2The system has strong and weak CO adsorption. By the design method provided by the invention, the electrode catalyst material for experimental synthesis of the high-performance fuel cell is providedFor explicit reference directions.
Description
Technical Field
The invention relates to a cerium dioxide supported platinum single-atom catalyst and a structure design method thereof, belonging to the field of energy catalytic materials.
Background
Energy crisis and environmental pollution are two major problems of major concern in all countries around the world, and development of clean and safe new energy for sustainable development of human beings has extremely important strategic significance. Fuel cells are devices that convert chemical energy of fuel directly into electrical energy, and are an emerging fourth generation power generation technology. The hydrogen and the oxygen are used as fuels, the reaction is clean and safe, and the ecological environment is friendly; and the theoretical energy conversion efficiency can reach more than 90 percent, and the electrochemical energy conversion technology has wide development prospect.
The basic operation principle of the fuel cell is that oxygen and hydrogen ions undergo an Oxygen Reduction Reaction (ORR) at the cathode of the cell to generate water, and electrons left at the anode due to the migration of the hydrogen ions flow toward the cathode under the action of an external voltage, thereby generating electric energy. At present, one of the main problems of the fuel cell is that the cathode oxygen reduction reaction rate is slow, and the energy conversion efficiency of the cell is directly influenced. The ORR reaction rate depends mainly on the electrode catalyst material, which presents a great challenge to the selection of catalyst material and the improvement of performance.
The electrode catalyst material used in fuel cells is mainly a noble metal heterogeneous catalyst, i.e. a suitable support material on which noble metal active species are supported. The electrode catalyst widely used at present is a carbon supported platinum (Pt @ C) catalyst, and the biggest problems of the catalyst are that: (1) the carbon support is prone to corrosion, (2) the use of noble metal platinum increases costs, and (3) CO in the hydrogen fuel reformate gas poisons the catalyst. Therefore, in order to promote large-scale commercial application of fuel cells in the future, development of novel electrode catalyst materials with high activity, high stability and low cost is still required.
Disclosure of Invention
The invention aims to provide novel high-performance CeO2Load(s)A Pt monatomic electrode catalyst and a structure design method thereof. Cerium oxide (CeO) in contrast to carbon support2) The material has strong oxidizing property, acid resistance and alkali resistance, and can effectively improve the stability of the fuel cell under high potential. And, CeO2The catalyst is an excellent catalyst carrier and has important application in the fields of automobile exhaust catalysis, water gas reaction and other catalysis. Selecting CeO2As a catalyst carrier, a novel CeO is designed2The electrode catalyst material loaded with noble metal Pt is applied to a fuel cell to improve the energy conversion efficiency, and has important significance for further realizing the practical production and application of the fuel cell.
In the present invention, Pt is supported on CeO in the form of a single atom2The consumption of noble metal can be reduced, so that the production cost of the battery is reduced; but Pt1The single atom is easy to agglomerate to form nano particles, and the catalytic activity is reduced. Therefore, the present invention calculates Pt1CeO with monoatomic atoms in different structures2Thermodynamic stability on the carrier, further discussing the anti-poisoning effect of the catalyst on CO by taking CO adsorption as a target reaction, and finally providing stable Pt1Monoatomic Pt for improving CO poisoning1@CeO2A catalyst material structure.
A cerium dioxide loaded platinum single-atom catalyst, which is Pt with high stability and good CO poisoning resistance1@CeO2The catalyst structure is characterized in that platinum single atoms are loaded on cerium substitution positions on the surface of cerium dioxide modified by oxygen vacancy defects, and the atomic structure of the catalyst has the following characteristics:
(1)CeO2the surface is<111>Orientation;
(2)Pt1the monoatomic supporting position is CeO2Ce substitution of the surface;
(3) in CeO2Oxygen vacancies are introduced into the surface to improve the CO poisoning resistance of the catalyst.
The structural design method of the cerium dioxide supported platinum monatomic catalyst mainly comprises the following steps:
(1) establishing CeO of different crystal face orientations2A surface model;
(2) comparative Pt1CeO with mono-atoms in different orientations2Degree of stability at different load locations on the surface;
(3) by CeO2Oxygen vacancy defect is introduced to the surface of Pt1Regulating and controlling the stability of the single atom;
(4) calculate and compare the above Pt1@CeO2The system has strong and weak CO adsorption.
In the step (1), modeling software such as Materials Studio or VESTA is adopted to construct CeO with different orientations2A surface model, comprising (111), (110) and (100) surfaces.
In the step (2), professional software VASP is calculated by adopting a first principle, and Pt is calculated1Monoatomic on CeO2The formation energy of different positions on the surface is higher than that of Pt. CeO (CeO)2The different locations of the surface include: ce atom substitution, O atom bridge, O atom triple vacancy, O atom top, etc.
In the step (3), CeO in the above-mentioned different orientations2Oxygen vacancies with different positions and different concentrations are introduced into a surface system, the coordination environment and the valence state of Pt are adjusted, the change condition of Pt formation energy is calculated by adopting a first principle method, and the adjustment of the stability, the coordination environment, the valence state of a Pt atom and the adsorption energy of CO is realized; the different positions comprise a topmost oxygen vacancy, a subsurface oxygen vacancy, a nearest neighbor oxygen vacancy and the like; the coordination environment includes d of Pt-6O6Electronic configuration and d of Pt-4O8Electronic configuration. After introduction of oxygen vacancies, Pt1The coordination environment of (A) is that Pt forms a planar structure by bonding with 4O atoms1The valence of (2) is + 2.
In step (4), calculating Pt with different structures1@CeO2The CO adsorption energy of the system optimizes a catalyst structure with excellent performance. The CO adsorption energy is taken as a judgment standard of the CO poisoning resistance, and the adsorption energy of Pt on CO is obviously improved to a positive value after the oxygen vacancy is introduced. Pt for the above structure1@CeO2Catalyst material, calculating and comparing the adsorption energy of CO on Pt, and preferably selecting Pt with CO adsorption energy greater than zero1@CeO2And (5) structure.
Through the technical steps, Pt capable of stably loading is preferably selected1CeO monoatomic and reducing adsorption strength of CO2The surface structure provides reference basis for experimental preparation of high-performance catalysts.
The invention has the advantages that:
the invention provides stable CeO2The rational design method of the Pt-loaded monatomic catalyst structure can provide a clear reference direction for synthesizing corresponding catalyst materials in experiments, also provides a feasible strategy for improving and improving the oxygen reduction reaction efficiency of the electrode catalyst, is beneficial to helping experiments to more efficiently develop high-performance electrode catalyst materials, avoids a large amount of repeated experiment work, and has high technical application value.
The invention designs an atomic structure of the cerium-substitutional platinum-loaded single-atom catalyst with the oxygen vacancy defect-modified cerium dioxide surface, and the atomic structure has good stability and CO poisoning resistance. The rational design method comprises the following steps: (1) construction of CeO of different crystal plane orientations2A surface model; (2) obtaining Pt through a first principle calculation method1Monoatomic on CeO2Formation energy of different load positions on the surface; (3) introduction of surface oxygen vacancy defects to Pt1Regulating and controlling the stability of the single atom; (4) comparison of the above Pt of different structures by calculation1@CeO2The system preferably selects a stable catalyst structure with excellent CO poisoning resistance for the adsorption energy of CO. The design method provided by the invention provides a clear reference direction for experimental synthesis of the electrode catalyst material for the high-performance fuel cell.
The invention is described in detail below with reference to the drawings and examples, but the invention is not limited thereto.
Drawings
FIG. 1(a) is CeO2(111) A surface model schematic;
FIG. 1(b) shows Pt1Monoatomic on CeO2(111) A loaded position of the surface;
FIG. 2 shows Pt of the present invention1@CeO2Catalyst atom structure diagram.
Detailed Description
The invention designs Pt with high stability and good CO poisoning resistance1@CeO2A catalyst structure having the following features:
(1)CeO2surface is<111>Orientation;
(2)Pt1the monoatomic supporting position is CeO2Ce substitution of the surface;
(3) in CeO2Oxygen vacancies are introduced into the surface to improve the CO poisoning resistance of the catalyst.
The structure design method of the invention mainly comprises 4 steps: (1) construction of CeO of different crystal plane orientations2A carrier model; (2) selecting CeO2Different loading positions on the surface, placing Pt monoatomic atoms at the loading positions, and calculating the Pt forming energy in the loading positions to obtain Pt1With single atoms in different orientations of CeO2Formation energy of different load positions on the surface; by adding in CeO2Introduction of oxygen vacancies in surfaces to alter Pt1Stability, coordination environment, valence state, and adsorption energy to CO; (3) oxygen vacancy defect is introduced into the system, whether the oxygen vacancy can cause the reduction of Pt formation energy is examined, and then CeO is further processed2Modifying the surface structure; (4) calculation of Pt for the different structures described above1@CeO2The adsorption effect of the catalyst system on CO is based on the adsorption energy of CO, and whether the theoretically designed catalyst has enough good CO poisoning resistance is judged.
The following is with CeO2(111) The structure design method of the ceria-supported platinum monatomic catalyst of the present invention will be described in detail with reference to the examples. The method comprises the following steps:
(1) construction of CeO2(111) Surface: adopting Materials Studio software to establish CeO2(111) The surface model, as shown in fig. 1(a), consists of 3 atomic layers containing (O-Ce-O) structural units.
(2) Obtaining Pt1In CeO2(111) Formation energy of different lattice sites on the surface: selecting CeO2(111) Surface differential Pt loading sites, including Ce atom substitutionO atom bridge position, O atom apical position, Ce atom apical position, as shown in FIG. 1 (b). The forming energy of Pt in the position is obtained by using first-principle professional computing software VASP, and specific values are listed in Table 1, wherein the Table 1 is Pt1In CeO2(111) Formation energy at different loading locations on the surface and adsorption energy of CO. Selection of Pt by comparison1Formation of the lowest-energy site for CeO2(111) The surface is a substitution site of Ce atom.
(3) To investigate the influence of oxygen vacancy defects on Pt formation performance: the CeO with the lowest energy obtained in the step (2)2(111) Surface Ce atom substitution position loaded Pt1Introducing different positions and different numbers of oxygen vacancies, and calculating Pt at the time1The formation energy of (1). By comparing Pt formation energy, the coordination environment and valence state of Pt are changed by introducing an oxygen vacancy, so that Pt is formed1A planar structure of-4O, a valence state is changed from +4 to +2, and has a lower energy of formation.
(4) Stable Pt with good CO poisoning resistance is provided1@CeO2The catalyst structure is as follows: calculation of all of the above-mentioned CeO2(111) Pt on different loading positions of surface1In the adsorption energy for CO, a structure in which the adsorption energy for CO is positive is preferable. In this example, the Ce substitution site containing one nearest neighbor oxygen vacancy is CeO2(111) Surface loading of Pt1The best position for a single atom is shown in FIG. 2.
TABLE 1 CeO2(111) Surface position Pt1Formation energy and CO adsorption energy of
As is apparent from Table 1, when Pt is supported on CeO having one oxygen vacancy2(111) The formation energy is minimal and extremely stable when the surface Ce is replaced. Meanwhile, the adsorption capacity to CO is not strong, and the CO poisoning problem of the catalyst is avoided. Therefore, by the method of the invention, a stable Pt with strong CO poisoning resistance is designed1@CeO2The structure of the catalyst is as follows,has strong reference value for experimental synthesis work.
Claims (10)
1. A cerium dioxide supported platinum monatomic catalyst, characterized in that: the cerium substitution load platinum single atom on the surface of the oxygen vacancy defect modified cerium dioxide, and the atomic structure of the catalyst has the following characteristics: (1) CeO (CeO)2Surface is<111>Orientation; (2) pt1The monoatomic supporting position is CeO2Ce substitution of the surface; (3) at CeO2Oxygen vacancies are introduced into the surface to improve the CO poisoning resistance of the catalyst.
2. The method for designing a structure of a ceria-supported platinum monatomic catalyst according to claim 1, comprising the steps of:
(1) establishing CeO of different crystal face orientations2A surface model;
(2) comparative Pt1CeO with mono-atoms in different orientations2Degree of stability at different load locations on the surface;
(3) by CeO2Oxygen vacancy defect is introduced to the surface of Pt1Regulating and controlling the stability of the single atom;
(4) calculate and compare the above Pt1@CeO2The system has strong and weak CO adsorption.
3. The method of designing a structure of a ceria-supported platinum monatomic catalyst according to claim 1, wherein: constructing CeO with different orientations by adopting Materials Studio or VESTA modeling software2A surface model, comprising (111), (110) and (100) surfaces.
4. The method of designing a structure of a ceria-supported platinum monatomic catalyst as recited in claim 1, wherein: adopts first sex principle to calculate special software VASP and Pt1Monoatomic on CeO2The formation energy of different positions on the surface is higher than that of Pt.
5. The method of claim 4The structural design method of the cerium dioxide supported platinum single-atom catalyst is characterized by comprising the following steps: the CeO2The different positions of the surface comprise Ce atom substitution positions, O atom bridge positions, O atom triple vacant positions and O atom top positions.
6. The method of designing a structure of a ceria-supported platinum monatomic catalyst according to claim 1, wherein: CeO in different orientations2Oxygen vacancies with different positions and different concentrations are introduced into the surface system, the coordination environment and the valence state of the Pt are adjusted, and the change condition of the Pt formation energy is calculated by adopting a first principle method.
7. The method of designing a structure of a ceria-supported platinum monatomic catalyst according to claim 6, wherein: the different positions include a topmost oxygen vacancy, a subsurface oxygen vacancy, and a nearest neighbor oxygen vacancy; the coordination environment includes d of Pt-6O6Electronic configuration and d of Pt-4O8Electronic configuration.
8. The method of designing a structure of a ceria-supported platinum monatomic catalyst according to claim 7, wherein: after introduction of oxygen vacancies, Pt1The coordination environment of (A) is that Pt forms a planar structure by bonding with 4O atoms1The valence of (2) is + 2.
9. The method of designing a structure of a ceria-supported platinum monatomic catalyst according to claim 1, wherein: calculation of Pt for different structures1@CeO2The CO adsorption energy of the system is used as the judgment standard of the CO poisoning resistance.
10. The method of designing a structure of a ceria-supported platinum monatomic catalyst as recited in claim 9, wherein: calculating and comparing the adsorption energy of CO on Pt, and preferably selecting Pt with CO adsorption energy greater than zero1@CeO2And (5) structure.
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Citations (6)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| JP2005085607A (en) * | 2003-09-09 | 2005-03-31 | Mitsubishi Rayon Co Ltd | Anode catalyst for fuel cell, and its manufacturing method |
| CN107221599A (en) * | 2017-05-25 | 2017-09-29 | 中国科学院微电子研究所 | Method for optimizing performance of oxide-based resistive random access memory |
| US20190126252A1 (en) * | 2017-11-01 | 2019-05-02 | Battelle Memorial Institute | Catalyst materials, systems, and methods of making |
| US20200127300A1 (en) * | 2017-06-13 | 2020-04-23 | The Board Of Trustees Of The Leland Stanford Junior University | Electrochemical catalysts with enhanced catalytic activity |
| CN111326219A (en) * | 2020-02-18 | 2020-06-23 | 有研工程技术研究院有限公司 | Method for calculating quantitative description material phase separation degree based on first principle |
| CN111353206A (en) * | 2018-12-20 | 2020-06-30 | 有研工程技术研究院有限公司 | Design method of novel cerium dioxide-based memristor material |
-
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Patent Citations (6)
| Publication number | Priority date | Publication date | Assignee | Title |
|---|---|---|---|---|
| JP2005085607A (en) * | 2003-09-09 | 2005-03-31 | Mitsubishi Rayon Co Ltd | Anode catalyst for fuel cell, and its manufacturing method |
| CN107221599A (en) * | 2017-05-25 | 2017-09-29 | 中国科学院微电子研究所 | Method for optimizing performance of oxide-based resistive random access memory |
| US20200127300A1 (en) * | 2017-06-13 | 2020-04-23 | The Board Of Trustees Of The Leland Stanford Junior University | Electrochemical catalysts with enhanced catalytic activity |
| US20190126252A1 (en) * | 2017-11-01 | 2019-05-02 | Battelle Memorial Institute | Catalyst materials, systems, and methods of making |
| CN111353206A (en) * | 2018-12-20 | 2020-06-30 | 有研工程技术研究院有限公司 | Design method of novel cerium dioxide-based memristor material |
| CN111326219A (en) * | 2020-02-18 | 2020-06-23 | 有研工程技术研究院有限公司 | Method for calculating quantitative description material phase separation degree based on first principle |
Non-Patent Citations (4)
| Title |
|---|
| FENG, ET AL.: "Correlating DFT Calculations with CO Oxidation Reactivity on Ga-Doped Pt/CeO2 Single-Atom Catalysts", JOURNAL OF PHYSICAL CHEMISTRY C, vol. 122, no. 39, pages 22460 - 22468 * |
| ZHANG，ET AL: "Theoretical Studies on the Stability and Reactivity of the Metal-Doped CeO2 (100) Surface: Toward H-2 Dissociation and Oxygen Vacancy Formation", LANGMUIR, no. 21, pages 5891 - 5901 * |
| 崔鹏飞 等: ""贵金属原子掺杂的CeO2(111)表面模型催化剂的理论研究"", vol. 44, no. 11, pages 28 - 30 * |
| 张婷 等: ""CO吸附于PtRu合金（100）面上的DFT理论研究"", vol. 25, no. 2, pages 99 - 103 * |
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