A strain-engineered self-intercalation Ta9Se12 based bifunctional single atom catalyst for oxygen evolution and reduction reactions
A self-intercalation Ta9Se12 supported Pd SAC was evidenced to be a promising bifunctional catalyst for OER and ORR under strain. [Display omitted] •The Ta intercalation can effectively improve the stability and activity of supported SACs.•Some intercalated SACs with high performance were identified...
Uloženo v:
| Vydáno v: | Applied surface science Ročník 602; s. 154378 |
|---|---|
| Hlavní autoři: | , , , , , |
| Médium: | Journal Article |
| Jazyk: | angličtina |
| Vydáno: |
Elsevier B.V
15.11.2022
|
| Témata: | |
| ISSN: | 0169-4332, 1873-5584 |
| On-line přístup: | Získat plný text |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!
|
| Abstract | A self-intercalation Ta9Se12 supported Pd SAC was evidenced to be a promising bifunctional catalyst for OER and ORR under strain.
[Display omitted]
•The Ta intercalation can effectively improve the stability and activity of supported SACs.•Some intercalated SACs with high performance were identified for OER and ORR, respectively.•Pd-Ta9Se12 was evidenced to be a promising bifunctional catalyst under a 3 % tensile strain.•Charge transfer to the surface is the origin for the enhancement of stability and activity of SAC.
Seeking and designing stable, high-efficiency, and economical bifunctional catalysts for the metal-air battery is challenging but of great significance towards the conversion and storage of renewable energy. In this study, based on first principles calculations, the oxygen evolution (OER) and oxygen reduction reaction (ORR) catalytic performance of different transition-metal (TM) atoms embedded into the surface of the self-intercalation structure Ta9Se12 (TM-Ta9Se12) were evaluated. The results demonstrate that the self-intercalated Ta-layer obviously improves the stability and catalytic activity of the system. Remarkably, Pd-Ta9Se12 under a tensile strain of 3 % was identified as an efficient bifunctional catalyst for OER and ORR with overpotentials of 0.65 and 0.42 V, respectively. Mechanistically, the intercalation structure of Ta9Se12 leads to a charge accumulation in the inner layer. But divertingly, under an external force, the charge in the inner layer will diffuse to the surface. This curious phenomenon can provide the possibility for directional and continuous regulation of the catalytic performance of the catalysts. This work elucidates a new approach for designing high-efficient and stable bifunctional SACs for OER and ORR. |
|---|---|
| AbstractList | A self-intercalation Ta9Se12 supported Pd SAC was evidenced to be a promising bifunctional catalyst for OER and ORR under strain.
[Display omitted]
•The Ta intercalation can effectively improve the stability and activity of supported SACs.•Some intercalated SACs with high performance were identified for OER and ORR, respectively.•Pd-Ta9Se12 was evidenced to be a promising bifunctional catalyst under a 3 % tensile strain.•Charge transfer to the surface is the origin for the enhancement of stability and activity of SAC.
Seeking and designing stable, high-efficiency, and economical bifunctional catalysts for the metal-air battery is challenging but of great significance towards the conversion and storage of renewable energy. In this study, based on first principles calculations, the oxygen evolution (OER) and oxygen reduction reaction (ORR) catalytic performance of different transition-metal (TM) atoms embedded into the surface of the self-intercalation structure Ta9Se12 (TM-Ta9Se12) were evaluated. The results demonstrate that the self-intercalated Ta-layer obviously improves the stability and catalytic activity of the system. Remarkably, Pd-Ta9Se12 under a tensile strain of 3 % was identified as an efficient bifunctional catalyst for OER and ORR with overpotentials of 0.65 and 0.42 V, respectively. Mechanistically, the intercalation structure of Ta9Se12 leads to a charge accumulation in the inner layer. But divertingly, under an external force, the charge in the inner layer will diffuse to the surface. This curious phenomenon can provide the possibility for directional and continuous regulation of the catalytic performance of the catalysts. This work elucidates a new approach for designing high-efficient and stable bifunctional SACs for OER and ORR. |
| ArticleNumber | 154378 |
| Author | Li, Jun Bu, Yuxiang Huang, Hai-Cai Cheng, Shi-Bo Wang, Ting-Ting Chen, Jing |
| Author_xml | – sequence: 1 givenname: Hai-Cai surname: Huang fullname: Huang, Hai-Cai – sequence: 2 givenname: Ting-Ting surname: Wang fullname: Wang, Ting-Ting – sequence: 3 givenname: Jun surname: Li fullname: Li, Jun – sequence: 4 givenname: Jing surname: Chen fullname: Chen, Jing – sequence: 5 givenname: Yuxiang surname: Bu fullname: Bu, Yuxiang – sequence: 6 givenname: Shi-Bo surname: Cheng fullname: Cheng, Shi-Bo email: shibocheng@sdu.edu.cn |
| BookMark | eNqFkM9OwzAMhyM0JLbBG3DIC7QkTdu0HJCmiX_SJA6Mc-Sm7pSpS6ckndiZF6fdOHGAky3b30_yNyMT21kk5JazmDOe321j2Pve6zhhSRLzLBWyuCBTXkgRZVmRTsh0OCujVIjkisy83zLGk2E7JV8L6oMDYyO0G2MRHdbUY9tExgZ0GloIprN0DeU78oRW4IeDyjS91eMCWuqN3bRIIXQ7qiFAe_SBNp2j3edxg5bioWv7UwjYmg75_YkcOjg1_ppcNtB6vPmpc_Lx9LhevkSrt-fX5WIVacHyEBWskYKXDDEFmVVVUUKZZ7rJK1E2FZYcKgkyKXQ-TBnIugJRyIIxKcaRFHNyf87VrvPeYaO0Caf3RgOt4kyNOtVWnXWqUac66xzg9Be8d2YH7vgf9nDGcHjsYNAprw1ajbVxqIOqO_N3wDew-5bD |
| CitedBy_id | crossref_primary_10_1016_j_pnsc_2024_04_008 crossref_primary_10_3390_molecules30071505 crossref_primary_10_1002_smtd_202402196 crossref_primary_10_1016_j_apsusc_2022_155846 |
| Cites_doi | 10.1103/PhysRevB.54.11169 10.1021/ja502532y 10.1002/anie.200700894 10.1038/srep16646 10.1021/acs.chemrev.8b00241 10.1021/acssuschemeng.9b05393 10.1016/0013-4686(84)85004-5 10.1038/nchem.1095 10.1039/D1TA05239J 10.1039/C8TA04064H 10.1016/j.apsusc.2021.151367 10.1021/jacs.5b06485 10.1038/s41586-020-2278-9 10.1021/acs.nanolett.0c01925 10.1149/1.1856988 10.1038/s41560-019-0372-8 10.1016/j.apsusc.2021.150208 10.1002/cctc.201601662 10.1021/acsami.1c23431 10.1021/jacs.8b09805 10.1021/jacs.1c10470 10.1021/jacs.9b03811 10.1103/PhysRevB.46.6671 10.1021/acs.energyfuels.2c00485 10.1002/cctc.201000397 10.1021/jp047349j 10.1021/acscatal.9b00252 10.1107/S0365110X65000063 10.1126/science.1212858 10.1021/acs.chemmater.8b01672 10.1021/acsami.0c00811 10.1021/acs.jpcc.0c01143 10.1021/ja104587v 10.1021/acsanm.0c00119 10.1021/cs501790v 10.1021/ja408574m 10.1002/ange.202009991 10.1038/s41929-018-0063-z 10.1002/jcc.20495 10.1021/acs.jpcc.0c01998 10.1021/acssuschemeng.0c09192 10.1021/jacs.8b10910 10.1021/acsami.0c18472 10.1038/s41467-019-12886-z 10.1021/acsaem.9b01329 10.1038/s41586-020-2241-9 |
| ContentType | Journal Article |
| Copyright | 2022 Elsevier B.V. |
| Copyright_xml | – notice: 2022 Elsevier B.V. |
| DBID | AAYXX CITATION |
| DOI | 10.1016/j.apsusc.2022.154378 |
| DatabaseName | CrossRef |
| DatabaseTitle | CrossRef |
| DatabaseTitleList | |
| DeliveryMethod | fulltext_linktorsrc |
| Discipline | Engineering |
| EISSN | 1873-5584 |
| ExternalDocumentID | 10_1016_j_apsusc_2022_154378 S0169433222019110 |
| GroupedDBID | --K --M -~X .~1 0R~ 1B1 1RT 1~. 1~5 23M 4.4 457 4G. 5GY 5VS 6J9 7-5 71M 8P~ 9JN AABNK AABXZ AACTN AAEDT AAEDW AAEPC AAIAV AAIKJ AAKOC AALRI AAOAW AAQFI AARLI AAXUO ABFNM ABFRF ABJNI ABMAC ABNEU ABXRA ABYKQ ACBEA ACDAQ ACFVG ACGFO ACGFS ACRLP ADBBV ADECG ADEZE AEBSH AEFWE AEKER AENEX AEZYN AFKWA AFRZQ AFTJW AFZHZ AGHFR AGUBO AGYEJ AHHHB AIEXJ AIKHN AITUG AIVDX AJOXV AJSZI ALMA_UNASSIGNED_HOLDINGS AMFUW AMRAJ AXJTR BKOJK BLXMC CS3 EBS EFJIC EFLBG EO8 EO9 EP2 EP3 F5P FDB FIRID FLBIZ FNPLU FYGXN G-Q GBLVA IHE J1W KOM M24 M38 M41 MAGPM MO0 N9A O-L O9- OAUVE OGIMB OZT P-8 P-9 P2P PC. Q38 RNS ROL RPZ SCB SDF SDG SDP SES SMS SPC SPCBC SPD SPG SSK SSM SSQ SSZ T5K TN5 WH7 XPP ZMT ~02 ~G- 9DU AAQXK AATTM AAXKI AAYWO AAYXX ABWVN ABXDB ACLOT ACNNM ACRPL ACVFH ADCNI ADMUD ADNMO AEIPS AEUPX AFJKZ AFPUW AGQPQ AIGII AIIUN AKBMS AKRWK AKYEP ANKPU APXCP ASPBG AVWKF AZFZN BBWZM CITATION EFKBS EJD FEDTE FGOYB G-2 HMV HVGLF HZ~ NDZJH R2- SEW WUQ ~HD |
| ID | FETCH-LOGICAL-c306t-80f73190ee4a75bb89a965cf6b39fbe91ab7a728c665c0a7dba38780073c66573 |
| ISICitedReferencesCount | 7 |
| ISICitedReferencesURI | http://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=Summon&SrcAuth=ProQuest&DestLinkType=CitingArticles&DestApp=WOS_CPL&KeyUT=000861070000003&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D |
| ISSN | 0169-4332 |
| IngestDate | Sat Nov 29 07:24:15 EST 2025 Tue Nov 18 21:23:59 EST 2025 Fri Feb 23 02:36:43 EST 2024 |
| IsPeerReviewed | true |
| IsScholarly | true |
| Keywords | Bifunctional catalysts Self-intercalation Single-atom catalysts Oxygen evolution reaction Charge transfer Oxygen reduction reaction |
| Language | English |
| LinkModel | OpenURL |
| MergedId | FETCHMERGED-LOGICAL-c306t-80f73190ee4a75bb89a965cf6b39fbe91ab7a728c665c0a7dba38780073c66573 |
| ParticipantIDs | crossref_citationtrail_10_1016_j_apsusc_2022_154378 crossref_primary_10_1016_j_apsusc_2022_154378 elsevier_sciencedirect_doi_10_1016_j_apsusc_2022_154378 |
| PublicationCentury | 2000 |
| PublicationDate | 2022-11-15 |
| PublicationDateYYYYMMDD | 2022-11-15 |
| PublicationDate_xml | – month: 11 year: 2022 text: 2022-11-15 day: 15 |
| PublicationDecade | 2020 |
| PublicationTitle | Applied surface science |
| PublicationYear | 2022 |
| Publisher | Elsevier B.V |
| Publisher_xml | – name: Elsevier B.V |
| References | Li, Li, Zeng, Chen (b0110) 2015; 5 Takata, Jiang, Sakata, Nakabayashi, Shibata, Nandal, Seki, Hisatomi, Domen (b0020) 2020; 581 Yan, Cheng, Yi, Lin, Yao, Wang, Li, Wei, Lu (b0100) 2015; 137 Su, Wang, Liu, Filot, Alexopoulos, Zhang, Muravev, Zijlstra, Vlachos, Hensen (b0175) 2019; 9 Nørskov, Rossmeisl, Logadottir, Lindqvist, Kitchin, Bligaard, Jónsson (b0200) 2004; 108 Tang, Wei, Wang, Zhang, Li, Nguyen, Li, Zhou, Shen, Tao, Hu (b0095) 2019; 141 Zhao, Song, Wang, Riis-Jensen, Fu, Deng, Wan, Kang, Ning, Dan, Venkatesan, Liu, Zhou, Thygesen, Luo, Pennycook, Loh (b0145) 2020; 581 Kim, Lee, Jang, Jin, Paidi, Lee, Lee, Kim, Yoo (b0075) 2021; 563 Lin, Wang, Qiao, Liu, Yang, Wang, Liang, Li, Liu, Zhang (b0090) 2013; 135 Suntivich, May, Gasteiger, Goodenough, Shao-Horn (b0015) 2011; 334 Chen, Waje, Li, Yan (b0040) 2007; 46 An, Zhang, Feng, Lv, Li, Wang, Lu, Gupta, Xi, Zhang (b0025) 2018; 140 Niu, Wan, Wang, Shao, Robertson, Zhang, Guo (b0140) 2021; 9 Grimme (b0160) 2006; 27 Xia, Yang (b0220) 2022; 36 Qiao, Wang, Yang, Allard, Jiang, Cui, Liu, Li, Zhang (b0055) 2011; 3 Zhao, Masa, Xia, Maljusch, Willinger, Clavel, Xie, Schlögl, Schuhmann, Muhler (b0030) 2014; 136 Kong, Ai, Wang, Xie, Lo, Wang, Pan (b0210) 2020; 3 Wang, Li, Liu, Hu, Zhang, Xia, Hou, Tse, Zhang, Zhao (b0085) 2021; 133 Huang, Wang, Li, Zhao, Dong, Chen, Lu, Bu, Cheng (b0070) 2020; 12 Yan, Cruz, Cook, Varga (b0170) 2015; 5 Kresse, Furthmüller (b0155) 1996; 54 Huang, Li, Zhao, Dong, Li, Wang, Chen, Bu, Cheng (b0080) 2021; 9 Trasatti (b0045) 1984; 29 Gharibi, Dalir, Jafari, Parnian, Zhiani (b0060) 2022; 572 Gorlin, Jaramillo (b0050) 2010; 132 Briquet, Sarwar, Mugo, Jones, Calle-Vallejo (b0185) 2017; 9 Xu, Cheng, Cao, Zeng (b0205) 2018; 1 Chen, Ling, Hencz, Ling, Li, Lin, Liu, Zhang (b0005) 2018; 118 Hu, Li, Zheng, Liang, Zheng, Pan (b0195) 2020; 124 Man, Su, Calle‐Vallejo, Hansen, Martínez, Inoglu, Kitchin, Jaramillo, Nørskov, Rossmeisl (b0190) 2011; 3 Liu, Jiao, Zheng, Jaroniec, Qiao (b0115) 2019; 141 Huang, Li, Yang, Ganz (b0125) 2021; 13 Shang, Sun, Sui, Pei, Zheng, Dong, Jiang, Zhou, Zhuang, Chen, Zhang, Wang, Li (b0130) 2020; 20 Zhang, Mao, Zeng (b0135) 2019; 7 Cao, Luo, Chen, Wang, Lin, Wang, Liu, Shen, Zhang, Liu, Qi, Jiang, Yang, Yao (b0065) 2019; 10 Dadgar, Scullion, Kang, Esposito, Yang, Herman, Pimenta, Santos, Pasupathy (b0230) 2018; 30 Wang, Fan, Qi, Li, Zhao (b0215) 2020; 124 Wang, Zhao, Setzler, Rojas-Carbonell, Ben Yehuda, Amel, Page, Wang, Hu, Shi, Gottesfeld, Xu, Yan (b0010) 2019; 4 Perdew, Chevary, Vosko, Jackson, Pederson, Singh, Fiolhais (b0150) 1992; 46 Han, Gao, Zhou, Hou, Jia, Cao, Duan, Lu (b0225) 2022; 14 Di Liberto, Cipriano, Pacchioni (b0105) 2021; 143 Su, Ge, Dong, Hao, Chen (b0035) 2018; 6 Cheng, Dai, Song, Zhang (b0120) 2019; 2 Brown, Beerntsen (b0165) 1965; 18 Nørskov, Bligaard, Logadottir, Kitchin, Chen, Pandelov, Stimming (b0180) 2005; 152 Xia (10.1016/j.apsusc.2022.154378_b0220) 2022; 36 Su (10.1016/j.apsusc.2022.154378_b0175) 2019; 9 Nørskov (10.1016/j.apsusc.2022.154378_b0200) 2004; 108 Wang (10.1016/j.apsusc.2022.154378_b0215) 2020; 124 Hu (10.1016/j.apsusc.2022.154378_b0195) 2020; 124 Niu (10.1016/j.apsusc.2022.154378_b0140) 2021; 9 Shang (10.1016/j.apsusc.2022.154378_b0130) 2020; 20 Man (10.1016/j.apsusc.2022.154378_b0190) 2011; 3 Dadgar (10.1016/j.apsusc.2022.154378_b0230) 2018; 30 Qiao (10.1016/j.apsusc.2022.154378_b0055) 2011; 3 Wang (10.1016/j.apsusc.2022.154378_b0010) 2019; 4 Wang (10.1016/j.apsusc.2022.154378_b0085) 2021; 133 An (10.1016/j.apsusc.2022.154378_b0025) 2018; 140 Takata (10.1016/j.apsusc.2022.154378_b0020) 2020; 581 Yan (10.1016/j.apsusc.2022.154378_b0170) 2015; 5 Huang (10.1016/j.apsusc.2022.154378_b0070) 2020; 12 Lin (10.1016/j.apsusc.2022.154378_b0090) 2013; 135 Cao (10.1016/j.apsusc.2022.154378_b0065) 2019; 10 Chen (10.1016/j.apsusc.2022.154378_b0040) 2007; 46 Kim (10.1016/j.apsusc.2022.154378_b0075) 2021; 563 Xu (10.1016/j.apsusc.2022.154378_b0205) 2018; 1 Huang (10.1016/j.apsusc.2022.154378_b0080) 2021; 9 Perdew (10.1016/j.apsusc.2022.154378_b0150) 1992; 46 Zhao (10.1016/j.apsusc.2022.154378_b0145) 2020; 581 Huang (10.1016/j.apsusc.2022.154378_b0125) 2021; 13 Trasatti (10.1016/j.apsusc.2022.154378_b0045) 1984; 29 Zhang (10.1016/j.apsusc.2022.154378_b0135) 2019; 7 Suntivich (10.1016/j.apsusc.2022.154378_b0015) 2011; 334 Brown (10.1016/j.apsusc.2022.154378_b0165) 1965; 18 Liu (10.1016/j.apsusc.2022.154378_b0115) 2019; 141 Kresse (10.1016/j.apsusc.2022.154378_b0155) 1996; 54 Zhao (10.1016/j.apsusc.2022.154378_b0030) 2014; 136 Tang (10.1016/j.apsusc.2022.154378_b0095) 2019; 141 Nørskov (10.1016/j.apsusc.2022.154378_b0180) 2005; 152 Li (10.1016/j.apsusc.2022.154378_b0110) 2015; 5 Grimme (10.1016/j.apsusc.2022.154378_b0160) 2006; 27 Kong (10.1016/j.apsusc.2022.154378_b0210) 2020; 3 Cheng (10.1016/j.apsusc.2022.154378_b0120) 2019; 2 Chen (10.1016/j.apsusc.2022.154378_b0005) 2018; 118 Han (10.1016/j.apsusc.2022.154378_b0225) 2022; 14 Yan (10.1016/j.apsusc.2022.154378_b0100) 2015; 137 Gorlin (10.1016/j.apsusc.2022.154378_b0050) 2010; 132 Di Liberto (10.1016/j.apsusc.2022.154378_b0105) 2021; 143 Gharibi (10.1016/j.apsusc.2022.154378_b0060) 2022; 572 Su (10.1016/j.apsusc.2022.154378_b0035) 2018; 6 Briquet (10.1016/j.apsusc.2022.154378_b0185) 2017; 9 |
| References_xml | – volume: 12 start-page: 19457 year: 2020 end-page: 19466 ident: b0070 article-title: Surface modification strategy for promoting the performance of non-noble metal single-atom catalysts in low-temperature CO oxidation publication-title: ACS Appl. Mater. Inter. – volume: 36 start-page: 4992 year: 2022 end-page: 4998 ident: b0220 article-title: SnS publication-title: Fuel. – volume: 581 start-page: 411 year: 2020 end-page: 414 ident: b0020 article-title: Photocatalytic water splitting with a quantum efficiency of almost unity publication-title: Nature – volume: 563 start-page: 150208 year: 2021 ident: b0075 article-title: Waste pig blood-derived 2D Fe single-atom porous carbon as an efficient electrocatalyst for zinc-air batteries and AEMFCs publication-title: Appl. Surf. Sci. – volume: 13 start-page: 608 year: 2021 end-page: 621 ident: b0125 article-title: Ammonia Synthesis Using Single-Atom Catalysts Based on Two-Dimensional Organometallic Metal Phthalocyanine Monolayers under Ambient Conditions publication-title: ACS Appl. Mater. Interfaces – volume: 6 start-page: 14025 year: 2018 end-page: 14042 ident: b0035 article-title: Recent progress in single-atom electrocatalysts: concept, synthesis, and applications in clean energy conversion publication-title: J. Mater. Chem. A – volume: 334 start-page: 1383 year: 2011 end-page: 1385 ident: b0015 article-title: A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles publication-title: Science – volume: 18 start-page: 31 year: 1965 end-page: 36 ident: b0165 article-title: Layer structure polytypism among niobium and tantalum selenides publication-title: Acta Crystallogr. – volume: 3 start-page: 2804 year: 2020 end-page: 2812 ident: b0210 article-title: Waved 2D transition-metal disulfides for nanodevices and catalysis: A first-principle study publication-title: ACS Appl. Nano Mater. – volume: 5 start-page: 544 year: 2015 end-page: 552 ident: b0110 article-title: Exploration of high-performance single-atom catalysts on support M publication-title: ACS Catal. – volume: 118 start-page: 8936 year: 2018 end-page: 8982 ident: b0005 article-title: Exploring chemical, mechanical, and electrical functionalities of binders for advanced energy-storage devices publication-title: Chem. Rev. – volume: 108 start-page: 17886 year: 2004 end-page: 17892 ident: b0200 article-title: Origin of the overpotential for oxygen reduction at a fuel-cell cathode publication-title: J. Phys. Chem. B – volume: 9 start-page: 1261 year: 2017 end-page: 1268 ident: b0185 article-title: A new type of scaling relations to assess the accuracy of computational predictions of catalytic activities applied to the oxygen evolution reaction publication-title: ChemCatChem – volume: 141 start-page: 9664 year: 2019 end-page: 9672 ident: b0115 article-title: Building up a picture of the electrocatalytic nitrogen reduction activity of transition metal single-atom catalysts publication-title: J. Am. Chem. Soc. – volume: 581 start-page: 171 year: 2020 end-page: 177 ident: b0145 article-title: Engineering covalently bonded 2D layered materials by self-intercalation publication-title: Nature – volume: 9 start-page: 18594 year: 2021 end-page: 18603 ident: b0080 article-title: A sandwich-like Ga publication-title: J. Mater. Chem. A – volume: 135 start-page: 15314 year: 2013 end-page: 15317 ident: b0090 article-title: Remarkable performance of Ir publication-title: J. Am. Chem. Soc. – volume: 1 start-page: 339 year: 2018 end-page: 348 ident: b0205 article-title: A universal principle for a rational design of single-atom electrocatalysts publication-title: Nat. Catal. – volume: 124 start-page: 9350 year: 2020 end-page: 9359 ident: b0215 article-title: Bifunctional HER/OER or OER/ORR catalytic activity of two-dimensional TM publication-title: J. Phys. Chem. C – volume: 46 start-page: 6671 year: 1992 ident: b0150 article-title: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation publication-title: Phys. Rev. B – volume: 2 start-page: 6851 year: 2019 end-page: 6859 ident: b0120 article-title: Nanostructure of Cr publication-title: ACS Appl. Energ. Mater. – volume: 9 start-page: 3590 year: 2021 end-page: 3599 ident: b0140 article-title: Single-atom rhodium on defective g-C publication-title: ACS Sustain. Chem. Eng. – volume: 5 start-page: 1 year: 2015 end-page: 13 ident: b0170 article-title: Structural, electronic and vibrational properties of few-layer 2H- and 1T-TaSe publication-title: Sci. Rep. – volume: 136 start-page: 7551 year: 2014 end-page: 7554 ident: b0030 article-title: Spinel Mn-Co oxide in N-doped carbon nanotubes as a bifunctional electrocatalyst synthesized by oxidative cutting publication-title: J. Am. Chem. Soc. – volume: 29 start-page: 1503 year: 1984 end-page: 1512 ident: b0045 article-title: Electrocatalysis in the anodic evolution of oxygen and chlorine publication-title: Electrochim. Acta – volume: 20 start-page: 5443 year: 2020 end-page: 5450 ident: b0130 article-title: Engineering isolated Mn-N publication-title: Nano Lett. – volume: 27 start-page: 1787 year: 2006 end-page: 1799 ident: b0160 article-title: Semiempirical GGA-type density functional constructed with a long-range dispersion correction publication-title: J. Comput. Chem. – volume: 46 start-page: 4060 year: 2007 end-page: 4063 ident: b0040 article-title: Supportless Pt and PtPd nanotubes as electrocatalysts for oxygen-reduction reactions publication-title: Angew. Chem. Int. Ed. – volume: 141 start-page: 7283 year: 2019 end-page: 7293 ident: b0095 article-title: Synergy of single-atom Ni1 and Ru1 sites on CeO publication-title: J. Am. Chem. Soc. – volume: 143 start-page: 20431 year: 2021 end-page: 20441 ident: b0105 article-title: Role of dihydride and dihydrogen complexes in hydrogen evolution reaction on single-atom catalysts publication-title: J. Am. Chem. Soc. – volume: 140 start-page: 17624 year: 2018 end-page: 17631 ident: b0025 article-title: Heterostructure-promoted oxygen electrocatalysis enables rechargeable zinc-air battery with neutral aqueous electrolyte publication-title: J. Am. Chem. Soc. – volume: 133 start-page: 183 year: 2021 end-page: 187 ident: b0085 article-title: Turning on Zn 4s electrons in a N-2-Zn-B-2 configuration to stimulate remarkable ORR performance publication-title: Angew. Chem. Int. Ed. – volume: 9 start-page: 3289 year: 2019 end-page: 3297 ident: b0175 article-title: Theoretical approach to predict the stability of supported single-atom catalysts publication-title: ACS Catal. – volume: 137 start-page: 10484 year: 2015 end-page: 10487 ident: b0100 article-title: Single-atom Pd publication-title: J. Am. Chem. Soc. – volume: 54 start-page: 11169 year: 1996 ident: b0155 article-title: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set publication-title: Phys. Rev. B – volume: 3 start-page: 1159 year: 2011 end-page: 1165 ident: b0190 article-title: Universality in oxygen evolution electrocatalysis on oxide surfaces publication-title: ChemCatChem – volume: 30 start-page: 5148 year: 2018 end-page: 5155 ident: b0230 article-title: Strain engineering and Raman spectroscopy of monolayer transition metal dichalcogenides publication-title: Chem. Mater. – volume: 124 start-page: 13168 year: 2020 end-page: 13176 ident: b0195 article-title: Tuning single-atom catalysts of nitrogen-coordinated transition metals for optimizing oxygen evolution and reduction reactions publication-title: J. Phys. Chem. C – volume: 14 start-page: 8655 year: 2022 end-page: 8663 ident: b0225 article-title: Deep elastic strain engineering of 2D materials and their twisted bilayers publication-title: ACS Appl. Mater. Interfaces – volume: 132 start-page: 13612 year: 2010 end-page: 13614 ident: b0050 article-title: A bifunctional nonprecious metal catalyst for oxygen reduction and water oxidation publication-title: J. Am. Chem. Soc. – volume: 10 start-page: 1 year: 2019 end-page: 9 ident: b0065 article-title: Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction publication-title: Nat. Commun. – volume: 3 start-page: 634 year: 2011 ident: b0055 article-title: Single-atom catalysis of CO oxidation using Pt publication-title: Nat. Chem. – volume: 572 start-page: 151367 year: 2022 ident: b0060 article-title: Engineering dual metal single-atom sites with the nitrogen-coordinated nonprecious catalyst for oxygen reduction reaction (ORR) in acidic electrolyte publication-title: Appl. Surf. Sci. – volume: 4 start-page: 392 year: 2019 end-page: 398 ident: b0010 article-title: Poly (aryl piperidinium) membranes and ionomers for hydroxide exchange membrane fuel cells publication-title: Nat. Energy – volume: 7 start-page: 18711 year: 2019 end-page: 18717 ident: b0135 article-title: B-doped MnN4-G nanosheets as bifunctional electrocatalysts for both oxygen reduction and oxygen evolution reactions publication-title: ACS Sustain. Chem. Eng. – volume: 152 start-page: J23 year: 2005 end-page: J26 ident: b0180 article-title: Trends in the exchange current for hydrogen evolution publication-title: J. Electrochem. Soc. – volume: 54 start-page: 11169 year: 1996 ident: 10.1016/j.apsusc.2022.154378_b0155 article-title: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.54.11169 – volume: 136 start-page: 7551 issue: 21 year: 2014 ident: 10.1016/j.apsusc.2022.154378_b0030 article-title: Spinel Mn-Co oxide in N-doped carbon nanotubes as a bifunctional electrocatalyst synthesized by oxidative cutting publication-title: J. Am. Chem. Soc. doi: 10.1021/ja502532y – volume: 46 start-page: 4060 issue: 22 year: 2007 ident: 10.1016/j.apsusc.2022.154378_b0040 article-title: Supportless Pt and PtPd nanotubes as electrocatalysts for oxygen-reduction reactions publication-title: Angew. Chem. Int. Ed. doi: 10.1002/anie.200700894 – volume: 5 start-page: 1 year: 2015 ident: 10.1016/j.apsusc.2022.154378_b0170 article-title: Structural, electronic and vibrational properties of few-layer 2H- and 1T-TaSe2 publication-title: Sci. Rep. doi: 10.1038/srep16646 – volume: 118 start-page: 8936 issue: 18 year: 2018 ident: 10.1016/j.apsusc.2022.154378_b0005 article-title: Exploring chemical, mechanical, and electrical functionalities of binders for advanced energy-storage devices publication-title: Chem. Rev. doi: 10.1021/acs.chemrev.8b00241 – volume: 7 start-page: 18711 issue: 22 year: 2019 ident: 10.1016/j.apsusc.2022.154378_b0135 article-title: B-doped MnN4-G nanosheets as bifunctional electrocatalysts for both oxygen reduction and oxygen evolution reactions publication-title: ACS Sustain. Chem. Eng. doi: 10.1021/acssuschemeng.9b05393 – volume: 29 start-page: 1503 issue: 11 year: 1984 ident: 10.1016/j.apsusc.2022.154378_b0045 article-title: Electrocatalysis in the anodic evolution of oxygen and chlorine publication-title: Electrochim. Acta doi: 10.1016/0013-4686(84)85004-5 – volume: 3 start-page: 634 year: 2011 ident: 10.1016/j.apsusc.2022.154378_b0055 article-title: Single-atom catalysis of CO oxidation using Pt1/FeOx publication-title: Nat. Chem. doi: 10.1038/nchem.1095 – volume: 9 start-page: 18594 issue: 34 year: 2021 ident: 10.1016/j.apsusc.2022.154378_b0080 article-title: A sandwich-like Ga2FeS4-supported single metal atom as a promising bifunctional electrocatalyst for overall water splitting publication-title: J. Mater. Chem. A doi: 10.1039/D1TA05239J – volume: 6 start-page: 14025 year: 2018 ident: 10.1016/j.apsusc.2022.154378_b0035 article-title: Recent progress in single-atom electrocatalysts: concept, synthesis, and applications in clean energy conversion publication-title: J. Mater. Chem. A doi: 10.1039/C8TA04064H – volume: 572 start-page: 151367 year: 2022 ident: 10.1016/j.apsusc.2022.154378_b0060 article-title: Engineering dual metal single-atom sites with the nitrogen-coordinated nonprecious catalyst for oxygen reduction reaction (ORR) in acidic electrolyte publication-title: Appl. Surf. Sci. doi: 10.1016/j.apsusc.2021.151367 – volume: 137 start-page: 10484 year: 2015 ident: 10.1016/j.apsusc.2022.154378_b0100 article-title: Single-atom Pd1/graphene catalyst achieved by atomic layer deposition: remarkable performance in selective hydrogenation of 1,3-butadiene publication-title: J. Am. Chem. Soc. doi: 10.1021/jacs.5b06485 – volume: 581 start-page: 411 issue: 7809 year: 2020 ident: 10.1016/j.apsusc.2022.154378_b0020 article-title: Photocatalytic water splitting with a quantum efficiency of almost unity publication-title: Nature doi: 10.1038/s41586-020-2278-9 – volume: 20 start-page: 5443 issue: 7 year: 2020 ident: 10.1016/j.apsusc.2022.154378_b0130 article-title: Engineering isolated Mn-N2C2 atomic interface sites for efficient bifunctional oxygen reduction and evolution reaction publication-title: Nano Lett. doi: 10.1021/acs.nanolett.0c01925 – volume: 152 start-page: J23 issue: 3 year: 2005 ident: 10.1016/j.apsusc.2022.154378_b0180 article-title: Trends in the exchange current for hydrogen evolution publication-title: J. Electrochem. Soc. doi: 10.1149/1.1856988 – volume: 4 start-page: 392 issue: 5 year: 2019 ident: 10.1016/j.apsusc.2022.154378_b0010 article-title: Poly (aryl piperidinium) membranes and ionomers for hydroxide exchange membrane fuel cells publication-title: Nat. Energy doi: 10.1038/s41560-019-0372-8 – volume: 563 start-page: 150208 year: 2021 ident: 10.1016/j.apsusc.2022.154378_b0075 article-title: Waste pig blood-derived 2D Fe single-atom porous carbon as an efficient electrocatalyst for zinc-air batteries and AEMFCs publication-title: Appl. Surf. Sci. doi: 10.1016/j.apsusc.2021.150208 – volume: 9 start-page: 1261 issue: 7 year: 2017 ident: 10.1016/j.apsusc.2022.154378_b0185 article-title: A new type of scaling relations to assess the accuracy of computational predictions of catalytic activities applied to the oxygen evolution reaction publication-title: ChemCatChem doi: 10.1002/cctc.201601662 – volume: 14 start-page: 8655 issue: 7 year: 2022 ident: 10.1016/j.apsusc.2022.154378_b0225 article-title: Deep elastic strain engineering of 2D materials and their twisted bilayers publication-title: ACS Appl. Mater. Interfaces doi: 10.1021/acsami.1c23431 – volume: 140 start-page: 17624 issue: 50 year: 2018 ident: 10.1016/j.apsusc.2022.154378_b0025 article-title: Heterostructure-promoted oxygen electrocatalysis enables rechargeable zinc-air battery with neutral aqueous electrolyte publication-title: J. Am. Chem. Soc. doi: 10.1021/jacs.8b09805 – volume: 143 start-page: 20431 issue: 48 year: 2021 ident: 10.1016/j.apsusc.2022.154378_b0105 article-title: Role of dihydride and dihydrogen complexes in hydrogen evolution reaction on single-atom catalysts publication-title: J. Am. Chem. Soc. doi: 10.1021/jacs.1c10470 – volume: 141 start-page: 9664 issue: 24 year: 2019 ident: 10.1016/j.apsusc.2022.154378_b0115 article-title: Building up a picture of the electrocatalytic nitrogen reduction activity of transition metal single-atom catalysts publication-title: J. Am. Chem. Soc. doi: 10.1021/jacs.9b03811 – volume: 46 start-page: 6671 year: 1992 ident: 10.1016/j.apsusc.2022.154378_b0150 article-title: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation publication-title: Phys. Rev. B doi: 10.1103/PhysRevB.46.6671 – volume: 36 start-page: 4992 issue: 9 year: 2022 ident: 10.1016/j.apsusc.2022.154378_b0220 article-title: SnS2 monolayer-supported transition metal atoms as efficient bifunctional oxygen electrocatalysts: a theoretical investigation, Energ publication-title: Fuel. doi: 10.1021/acs.energyfuels.2c00485 – volume: 3 start-page: 1159 issue: 7 year: 2011 ident: 10.1016/j.apsusc.2022.154378_b0190 article-title: Universality in oxygen evolution electrocatalysis on oxide surfaces publication-title: ChemCatChem doi: 10.1002/cctc.201000397 – volume: 108 start-page: 17886 issue: 46 year: 2004 ident: 10.1016/j.apsusc.2022.154378_b0200 article-title: Origin of the overpotential for oxygen reduction at a fuel-cell cathode publication-title: J. Phys. Chem. B doi: 10.1021/jp047349j – volume: 9 start-page: 3289 issue: 4 year: 2019 ident: 10.1016/j.apsusc.2022.154378_b0175 article-title: Theoretical approach to predict the stability of supported single-atom catalysts publication-title: ACS Catal. doi: 10.1021/acscatal.9b00252 – volume: 18 start-page: 31 issue: 1 year: 1965 ident: 10.1016/j.apsusc.2022.154378_b0165 article-title: Layer structure polytypism among niobium and tantalum selenides publication-title: Acta Crystallogr. doi: 10.1107/S0365110X65000063 – volume: 334 start-page: 1383 issue: 6061 year: 2011 ident: 10.1016/j.apsusc.2022.154378_b0015 article-title: A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles publication-title: Science doi: 10.1126/science.1212858 – volume: 30 start-page: 5148 issue: 15 year: 2018 ident: 10.1016/j.apsusc.2022.154378_b0230 article-title: Strain engineering and Raman spectroscopy of monolayer transition metal dichalcogenides publication-title: Chem. Mater. doi: 10.1021/acs.chemmater.8b01672 – volume: 12 start-page: 19457 issue: 17 year: 2020 ident: 10.1016/j.apsusc.2022.154378_b0070 article-title: Surface modification strategy for promoting the performance of non-noble metal single-atom catalysts in low-temperature CO oxidation publication-title: ACS Appl. Mater. Inter. doi: 10.1021/acsami.0c00811 – volume: 124 start-page: 9350 issue: 17 year: 2020 ident: 10.1016/j.apsusc.2022.154378_b0215 article-title: Bifunctional HER/OER or OER/ORR catalytic activity of two-dimensional TM3(HITP)2 with TM = Fe-Zn publication-title: J. Phys. Chem. C doi: 10.1021/acs.jpcc.0c01143 – volume: 132 start-page: 13612 issue: 39 year: 2010 ident: 10.1016/j.apsusc.2022.154378_b0050 article-title: A bifunctional nonprecious metal catalyst for oxygen reduction and water oxidation publication-title: J. Am. Chem. Soc. doi: 10.1021/ja104587v – volume: 3 start-page: 2804 issue: 3 year: 2020 ident: 10.1016/j.apsusc.2022.154378_b0210 article-title: Waved 2D transition-metal disulfides for nanodevices and catalysis: A first-principle study publication-title: ACS Appl. Nano Mater. doi: 10.1021/acsanm.0c00119 – volume: 5 start-page: 544 issue: 2 year: 2015 ident: 10.1016/j.apsusc.2022.154378_b0110 article-title: Exploration of high-performance single-atom catalysts on support M1/FeOx for CO oxidation via computational study publication-title: ACS Catal. doi: 10.1021/cs501790v – volume: 135 start-page: 15314 issue: 41 year: 2013 ident: 10.1016/j.apsusc.2022.154378_b0090 article-title: Remarkable performance of Ir1/FeOx single-atom catalyst in water gas shift reaction publication-title: J. Am. Chem. Soc. doi: 10.1021/ja408574m – volume: 133 start-page: 183 issue: 1 year: 2021 ident: 10.1016/j.apsusc.2022.154378_b0085 article-title: Turning on Zn 4s electrons in a N-2-Zn-B-2 configuration to stimulate remarkable ORR performance publication-title: Angew. Chem. Int. Ed. doi: 10.1002/ange.202009991 – volume: 1 start-page: 339 issue: 5 year: 2018 ident: 10.1016/j.apsusc.2022.154378_b0205 article-title: A universal principle for a rational design of single-atom electrocatalysts publication-title: Nat. Catal. doi: 10.1038/s41929-018-0063-z – volume: 27 start-page: 1787 issue: 15 year: 2006 ident: 10.1016/j.apsusc.2022.154378_b0160 article-title: Semiempirical GGA-type density functional constructed with a long-range dispersion correction publication-title: J. Comput. Chem. doi: 10.1002/jcc.20495 – volume: 124 start-page: 13168 issue: 24 year: 2020 ident: 10.1016/j.apsusc.2022.154378_b0195 article-title: Tuning single-atom catalysts of nitrogen-coordinated transition metals for optimizing oxygen evolution and reduction reactions publication-title: J. Phys. Chem. C doi: 10.1021/acs.jpcc.0c01998 – volume: 9 start-page: 3590 issue: 9 year: 2021 ident: 10.1016/j.apsusc.2022.154378_b0140 article-title: Single-atom rhodium on defective g-C3N4: a promising bifunctional oxygen electrocatalyst publication-title: ACS Sustain. Chem. Eng. doi: 10.1021/acssuschemeng.0c09192 – volume: 141 start-page: 7283 issue: 18 year: 2019 ident: 10.1016/j.apsusc.2022.154378_b0095 article-title: Synergy of single-atom Ni1 and Ru1 sites on CeO2 for dry reforming of CH4 publication-title: J. Am. Chem. Soc. doi: 10.1021/jacs.8b10910 – volume: 13 start-page: 608 issue: 1 year: 2021 ident: 10.1016/j.apsusc.2022.154378_b0125 article-title: Ammonia Synthesis Using Single-Atom Catalysts Based on Two-Dimensional Organometallic Metal Phthalocyanine Monolayers under Ambient Conditions publication-title: ACS Appl. Mater. Interfaces doi: 10.1021/acsami.0c18472 – volume: 10 start-page: 1 year: 2019 ident: 10.1016/j.apsusc.2022.154378_b0065 article-title: Dynamic oxygen adsorption on single-atomic Ruthenium catalyst with high performance for acidic oxygen evolution reaction publication-title: Nat. Commun. doi: 10.1038/s41467-019-12886-z – volume: 2 start-page: 6851 issue: 9 year: 2019 ident: 10.1016/j.apsusc.2022.154378_b0120 article-title: Nanostructure of Cr2CO2 MXene supported single metal atom as an efficient bifunctional electrocatalyst for overall water splitting publication-title: ACS Appl. Energ. Mater. doi: 10.1021/acsaem.9b01329 – volume: 581 start-page: 171 issue: 7807 year: 2020 ident: 10.1016/j.apsusc.2022.154378_b0145 article-title: Engineering covalently bonded 2D layered materials by self-intercalation publication-title: Nature doi: 10.1038/s41586-020-2241-9 |
| SSID | ssj0012873 |
| Score | 2.436041 |
| Snippet | A self-intercalation Ta9Se12 supported Pd SAC was evidenced to be a promising bifunctional catalyst for OER and ORR under strain.
[Display omitted]
•The Ta... |
| SourceID | crossref elsevier |
| SourceType | Enrichment Source Index Database Publisher |
| StartPage | 154378 |
| SubjectTerms | Bifunctional catalysts Charge transfer Oxygen evolution reaction Oxygen reduction reaction Self-intercalation Single-atom catalysts |
| Title | A strain-engineered self-intercalation Ta9Se12 based bifunctional single atom catalyst for oxygen evolution and reduction reactions |
| URI | https://dx.doi.org/10.1016/j.apsusc.2022.154378 |
| Volume | 602 |
| WOSCitedRecordID | wos000861070000003&url=https%3A%2F%2Fcvtisr.summon.serialssolutions.com%2F%23%21%2Fsearch%3Fho%3Df%26include.ft.matches%3Dt%26l%3Dnull%26q%3D |
| hasFullText | 1 |
| inHoldings | 1 |
| isFullTextHit | |
| isPrint | |
| journalDatabaseRights | – providerCode: PRVESC databaseName: Elsevier SD Freedom Collection Journals 2021 customDbUrl: eissn: 1873-5584 dateEnd: 99991231 omitProxy: false ssIdentifier: ssj0012873 issn: 0169-4332 databaseCode: AIEXJ dateStart: 19950101 isFulltext: true titleUrlDefault: https://www.sciencedirect.com providerName: Elsevier |
| link | http://cvtisr.summon.serialssolutions.com/2.0.0/link/0/eLvHCXMwtV3Nb9MwFLdKxwEOiE9tfMkHbpUnp1li-1hVQwOhCYkg9RbZjoMylaxquqo782_wx_Ic20lG0WAHLlH75DhO3i9-H3kfCL2TkaEgpSThUhXkRMuSyIJrolTJheamoLrtWvKJnZ_zxUJ8Ho1-hlyY7ZLVNd_txOq_shpowGybOnsHdneTAgF-A9PhCGyH4z8xfmbzP8DeJ8aXGgSVsjHLktjKEGtgiWN5JsUXE00nVoyBElpZAef9gtZ9sDQTMMe_T1r3znWzacMRL3fX32xXgK2_ARecbou_tv9A_9S9_y-UtvVqbnO1LqWtZ-s2kx5O3mF9Jisyl1Xv4HfkDNZCsiBfbeRQ5ZJJOlDPQ35JGOR9GGD-2ji6ZOjWTIXN3bqxL6d0OthZQdWLXbOfvU3f-R8ujuWqsb3h7AWO--E3a2z_Jvu6iMQQ7HaRu1lyO0vuZrmHDqYsEXyMDmYfThcfu69UYG3Grna8W31IzWzjB_dX82fVZ6DOZI_RI2-H4JnDzxM0MvVT9HBQnfIZ-jHDe0jC-0jCHkm4RRIeIgk7JGGLJByQhAFJ2CEJd0jCgCTcIQl3SHqOvr4_zeZnxPfsIBqMzw0oPCWDXZ0acyJZohQXUqSJLlMVi1IZEUnFJJtynQKVSlYoGXPG7QdjS2LxCzSuL2tziDDlhtFpkdCCgs4eaVlImzOqImrKtFDsCMXhcebaF7S3T2WZ38bMI0S6s1auoMtfxrPAqdy_IU7ZzAF-t5758o5XeoUe9O_GazTerK_MG3RfbzdVs37rsfcLfYm2NQ |
| linkProvider | Elsevier |
| openUrl | ctx_ver=Z39.88-2004&ctx_enc=info%3Aofi%2Fenc%3AUTF-8&rfr_id=info%3Asid%2Fsummon.serialssolutions.com&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Ajournal&rft.genre=article&rft.atitle=A+strain-engineered+self-intercalation+Ta9Se12+based+bifunctional+single+atom+catalyst+for+oxygen+evolution+and+reduction+reactions&rft.jtitle=Applied+surface+science&rft.au=Huang%2C+Hai-Cai&rft.au=Wang%2C+Ting-Ting&rft.au=Li%2C+Jun&rft.au=Chen%2C+Jing&rft.date=2022-11-15&rft.issn=0169-4332&rft.volume=602&rft.spage=154378&rft_id=info:doi/10.1016%2Fj.apsusc.2022.154378&rft.externalDBID=n%2Fa&rft.externalDocID=10_1016_j_apsusc_2022_154378 |
| thumbnail_l | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/lc.gif&issn=0169-4332&client=summon |
| thumbnail_m | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/mc.gif&issn=0169-4332&client=summon |
| thumbnail_s | http://covers-cdn.summon.serialssolutions.com/index.aspx?isbn=/sc.gif&issn=0169-4332&client=summon |