JP2007273099A - 電池用電極触媒の性能評価方法、探索方法、電池用電極触媒及びその電極触媒を用いた燃料電池 - Google Patents
電池用電極触媒の性能評価方法、探索方法、電池用電極触媒及びその電極触媒を用いた燃料電池 Download PDFInfo
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- 238000011156 evaluation Methods 0.000 title claims abstract description 17
- 238000000034 method Methods 0.000 title claims abstract description 16
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- 239000010941 cobalt Substances 0.000 claims description 3
- GUTLYIVDDKVIGB-UHFFFAOYSA-N cobalt atom Chemical compound [Co] GUTLYIVDDKVIGB-UHFFFAOYSA-N 0.000 claims description 3
- 229910052748 manganese Inorganic materials 0.000 claims description 3
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- CCEKAJIANROZEO-UHFFFAOYSA-N sulfluramid Chemical group CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CCEKAJIANROZEO-UHFFFAOYSA-N 0.000 description 1
- TXEYQDLBPFQVAA-UHFFFAOYSA-N tetrafluoromethane Chemical class FC(F)(F)F TXEYQDLBPFQVAA-UHFFFAOYSA-N 0.000 description 1
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- XLYOFNOQVPJJNP-UHFFFAOYSA-N water Substances O XLYOFNOQVPJJNP-UHFFFAOYSA-N 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
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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
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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
- H01M4/9041—Metals or alloys
-
- 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
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- H—ELECTRICITY
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- 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
- H01M4/926—Metals of platinum group supported on carriers, e.g. powder carriers on carbon or graphite
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- H—ELECTRICITY
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- H01M—PROCESSES OR MEANS, e.g. BATTERIES, FOR THE DIRECT CONVERSION OF CHEMICAL ENERGY INTO ELECTRICAL ENERGY
- H01M8/00—Fuel cells; Manufacture thereof
- H01M8/10—Fuel cells with solid electrolytes
- H01M2008/1095—Fuel cells with polymeric electrolytes
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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
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Abstract
【解決手段】導電性担体に触媒金属が担持された燃料電池用電極触媒の性能評価方法において、分子シミュレーション解析から得られる触媒金属表面における酸素原子吸着エネルギーを該性能評価の指標とする。
【選択図】図2
Description
(1/2)O2+2H++2e−→H2O (2)
H2+(1/2)O2→H2O (3)
(1)触媒貴金属を4層(1層当たり金属原子4個含む)でモデル化している。なお、周期境界条件で計算を行うため、金属表面(XY方向)は無限に広がっていることになる。つまり、金属原子4個で実際の金属表面を模擬できている。z方向についても、決して4層の薄膜をモデル化しているわけではなく、4層で実際の金属表面を模擬できていることが保証されている。
(2)合金については、実測の触媒の合金組成に合うように、原子比率を変えてモデル化している。
(3)合金元素によって表面近傍における安定サイトが異なるため、それを同様の計算から同定して合金モデルを構築している。
(4)これらの合金表面上に酸素原子が安定に吸着した状態と酸素原子が合金表面から無限に離れ、酸素分子になっている状態の酸素原子1個当りのエネルギー差を酸素原子吸着エネルギーとして算出している。
本発明の燃料電池用電極触媒に用いる導電性担持体には,公知のカーボン材料を使用することができる。特に、チャンネルブラック、ファーネスブラック、サーマルブラック、アセチレンブラックなどのカーボンブラックや活性炭などが好ましく例示される。
図1に、触媒活性と酸素原子吸着エネルギーの相関関係を示す。上記非特許文献1に開示された種々の触媒金属組成の実測性能(RDE(回転ディスク電極)評価法から求まる触媒活性(酸素還元電流))を縦軸に、本発明者らが計算した分子シミュレーション解析から得られる触媒金属表面における酸素原子吸着エネルギーを横軸にした。
Claims (10)
- 導電性担体に触媒金属が担持された燃料電池用電極触媒の性能評価方法であって、分子シミュレーション解析から得られる触媒金属表面における酸素原子吸着エネルギーを該性能評価の指標とすることを特徴とする燃料電池用電極触媒の性能評価方法。
- 前記酸素原子吸着エネルギーが0.18〜1.05eVとなるように触媒金属を選択することを特徴とする請求項1に記載の燃料電池用電極触媒の性能評価方法。
- 導電性担体に触媒金属が担持された燃料電池用電極触媒の探索方法であって、分子シミュレーション解析から得られる触媒金属表面における酸素原子吸着エネルギーを探索の指標とすることを特徴とする燃料電池用電極触媒の探索方法。
- 前記酸素原子吸着エネルギーが0.18〜1.05eVである触媒金属を探索することを特徴とする請求項3に記載の燃料電池用電極触媒の探索方法。
- 導電性担体に触媒金属が担持された燃料電池用電極触媒であって、分子シミュレーション解析から得られる触媒金属表面における酸素原子吸着エネルギーが0.20〜0.85eVである触媒金属を含むことを特徴とする燃料電池用電極触媒。
- 導電性担体に触媒金属が担持された燃料電池用電極触媒であって、分子シミュレーション解析から得られる触媒金属表面における酸素原子吸着エネルギーが0.30〜0.60eVである触媒金属を含むことを特徴とする燃料電池用電極触媒。
- 白金及び金を含む合金がカーボンに担持された燃料電池用電極触媒であって、Pt−Au又はPt−B−Au(Bは遷移金属)で表される触媒金属を含むことを特徴とする燃料電池用電極触媒。
- 前記遷移金属は、クロム(Cr)、マンガン(Mn)、鉄(Fe)、コバルト(Co)、ニッケル(Ni)、ロジウム(Rh)、およびパラジウム(Pd)からなる群より選択される1種以上であることを特徴とする請求項7に記載の燃料電池用電極触媒。
- 前記Pt−Au又はPt−B−Au(Bは遷移金属)で表される触媒金属において、金(Au)含量は触媒金属合金全量に対して6原子%以下であることを特徴とする請求項7又は8に記載の燃料電池用電極触媒。
- 請求項5乃至9のいずれかに記載の電極触媒を用いた燃料電池。
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JP2006093546A JP5110557B2 (ja) | 2006-03-30 | 2006-03-30 | 燃料電池用電極触媒の性能評価方法及びその探索方法 |
PCT/JP2007/057517 WO2007119668A1 (en) | 2006-03-30 | 2007-03-28 | Method of evaluating the performance of fuel cell cathode catalysts, corresponding cathode catalysts and fuel cell |
EP07740953A EP2008324A1 (en) | 2006-03-30 | 2007-03-28 | Method of evaluating the performance of fuel cell cathode catalysts, corresponding cathode catalysts and fuel cell |
CNA200780011032XA CN101411010A (zh) | 2006-03-30 | 2007-03-28 | 评价燃料电池阴极触媒性能的方法、对应的阴极触媒与燃料电池 |
US12/294,900 US20100248086A1 (en) | 2006-03-30 | 2007-03-28 | Method of Evaluating the Performance of Fuel Cell Cathode Catalysts, Corresponding Cathode Catalysts and Fuel Cell |
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JP2006093546A JP5110557B2 (ja) | 2006-03-30 | 2006-03-30 | 燃料電池用電極触媒の性能評価方法及びその探索方法 |
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US (1) | US20100248086A1 (ja) |
EP (1) | EP2008324A1 (ja) |
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WO (1) | WO2007119668A1 (ja) |
Cited By (5)
Publication number | Priority date | Publication date | Assignee | Title |
---|---|---|---|---|
WO2008123364A1 (ja) * | 2007-03-28 | 2008-10-16 | Sumitomo Chemical Company, Limited | 電極触媒組成物及びその製造方法、電極並びにこれを備える燃料電池及び膜-電極接合体 |
JP2008293807A (ja) * | 2007-05-24 | 2008-12-04 | Toyota Motor Corp | N4キレート型2量化金属錯体からなる電池用電極触媒の性能評価方法 |
JP2009202127A (ja) * | 2008-02-29 | 2009-09-10 | Hitachi Ltd | 窒素酸化物浄化触媒 |
JP2010102911A (ja) * | 2008-10-23 | 2010-05-06 | Toyota Motor Corp | 固体高分子型燃料電池用電極触媒 |
CN114300691A (zh) * | 2021-11-17 | 2022-04-08 | 华中师范大学 | 中自旋铁单原子催化剂的制备和应用 |
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FR2991507B1 (fr) * | 2012-05-29 | 2014-11-14 | Commissariat Energie Atomique | Methode d'optimisation de l'alimentation en combustible comprenant un compose carbonyle de l'electrode catalytique d'une pile a combustible |
US11894566B2 (en) | 2020-05-12 | 2024-02-06 | Robert Bosch Gmbh | Catalyst materials for a fuel cell stack |
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JPH04141236A (ja) * | 1990-09-29 | 1992-05-14 | Stonehard Assoc Inc | 白金合金触媒とその製法 |
WO2006021740A1 (en) * | 2004-08-27 | 2006-03-02 | Johnson Matthey Public Limited Company | Platinum alloy catalyst |
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US5759944A (en) * | 1993-04-20 | 1998-06-02 | Johnson Matthey Public Limited Company | Catalyst material |
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2007
- 2007-03-28 CN CNA200780011032XA patent/CN101411010A/zh active Pending
- 2007-03-28 US US12/294,900 patent/US20100248086A1/en not_active Abandoned
- 2007-03-28 WO PCT/JP2007/057517 patent/WO2007119668A1/en active Search and Examination
- 2007-03-28 EP EP07740953A patent/EP2008324A1/en not_active Withdrawn
Patent Citations (2)
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JPH04141236A (ja) * | 1990-09-29 | 1992-05-14 | Stonehard Assoc Inc | 白金合金触媒とその製法 |
WO2006021740A1 (en) * | 2004-08-27 | 2006-03-02 | Johnson Matthey Public Limited Company | Platinum alloy catalyst |
Cited By (6)
Publication number | Priority date | Publication date | Assignee | Title |
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WO2008123364A1 (ja) * | 2007-03-28 | 2008-10-16 | Sumitomo Chemical Company, Limited | 電極触媒組成物及びその製造方法、電極並びにこれを備える燃料電池及び膜-電極接合体 |
JP2008293807A (ja) * | 2007-05-24 | 2008-12-04 | Toyota Motor Corp | N4キレート型2量化金属錯体からなる電池用電極触媒の性能評価方法 |
JP2009202127A (ja) * | 2008-02-29 | 2009-09-10 | Hitachi Ltd | 窒素酸化物浄化触媒 |
JP2010102911A (ja) * | 2008-10-23 | 2010-05-06 | Toyota Motor Corp | 固体高分子型燃料電池用電極触媒 |
CN114300691A (zh) * | 2021-11-17 | 2022-04-08 | 华中师范大学 | 中自旋铁单原子催化剂的制备和应用 |
CN114300691B (zh) * | 2021-11-17 | 2023-11-10 | 华中师范大学 | 中自旋铁单原子催化剂的制备和应用 |
Also Published As
Publication number | Publication date |
---|---|
EP2008324A1 (en) | 2008-12-31 |
JP5110557B2 (ja) | 2012-12-26 |
WO2007119668A1 (en) | 2007-10-25 |
US20100248086A1 (en) | 2010-09-30 |
CN101411010A (zh) | 2009-04-15 |
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