Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | 송태섭 | - |
dc.date.accessioned | 2021-10-26T07:26:16Z | - |
dc.date.available | 2021-10-26T07:26:16Z | - |
dc.date.issued | 2020-04 | - |
dc.identifier.citation | JOURNAL OF PHYSICAL CHEMISTRY C, v. 124, no. 19, page. 10376-10384 | en_US |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.issn | 1932-7455 | - |
dc.identifier.uri | https://pubs.acs.org/doi/10.1021/acs.jpcc.0c02091 | - |
dc.identifier.uri | https://repository.hanyang.ac.kr/handle/20.500.11754/165768 | - |
dc.description.abstract | Brookite, the least studied crystalline phase of TiO2 recently has been found to have excellent photocatalytic activities, comparable to that of anatase TiO2. However, its activity is highly dependent on its defect levels. We systematically studied the equilibria of the native point defects of brookite, along with their effects on photocatalytic activities. From first-principles calculations and thermodynamics modeling, we predicted the formation of an interstitial defect (Ti-i(4+)) under weak reductive conditions while that of Ti-O(4+) under strong reductive conditions. Our calculations also suggest that Ti-i(4+) exclusively induces ideal shallow defect levels in brookite, but Ti-O(4+) results in deep level formations. In our experiments, we demonstrated that the moderately reduced brookite TiO2 sample has the best photocatalytic activity. This combined theoretical and experimental work explains the inconsistent photocatalytic activities of brookite and suggests the processing conditions that yield highly active brookite photocatalysts-one that is comparable to or exceeding that of anatase. | en_US |
dc.description.sponsorship | The EPR was analyzed at Korea Basic Science Institute (KBSI). XANES and EXAFS were obtained from the Advanced Analysis Center at the Korea Institute of Science and Technology (KIST-AAC). S.-H.C. acknowledges the financial support provided by the Korea Institute of Science and Technology Institutional projects (grant no. 2E29250). This work was supported by "Human Resources Program in Energy Technology" of the Korea Institute of Energy Technology Evaluation and Planning (KETEP), granted financial resource from the Ministry of Trade, Industry & Energy, Republic of Korea (no. 20194010201890). H.C. acknowledges the financial support of the Federal Ministry of Education and Research (BMBF) under the "Make Our Planet Great Again.German Research Initiative" (MOPGA-GRI; 57429784) implemented by the German Academic Exchange Service: Deutscher Akademischer Austauschdienst (DAAD). | en_US |
dc.language.iso | en | en_US |
dc.publisher | AMER CHEMICAL SOC | en_US |
dc.subject | GENERALIZED GRADIENT APPROXIMATION | en_US |
dc.subject | SELF-DOPED TIO2 | en_US |
dc.subject | COMPUTATIONAL PREDICTIONS | en_US |
dc.subject | RUTILE | en_US |
dc.subject | TRANSFORMATION | en_US |
dc.subject | ABSORPTION | en_US |
dc.subject | REDUCTION | en_US |
dc.subject | HYDROGEN | en_US |
dc.subject | ENERGY | en_US |
dc.subject | OXIDE | en_US |
dc.title | Mapping Point Defects of Brookite TiO2 for Photocatalytic Activity Beyond Anatase and P25 | en_US |
dc.type | Article | en_US |
dc.relation.no | 19 | - |
dc.relation.volume | 124 | - |
dc.identifier.doi | 10.1021/acs.jpcc.0c02091 | - |
dc.relation.page | 10376-10384 | - |
dc.relation.journal | JOURNAL OF PHYSICAL CHEMISTRY C | - |
dc.contributor.googleauthor | Khan, Sovann | - |
dc.contributor.googleauthor | Je, Minyeong | - |
dc.contributor.googleauthor | Kim, Donghun | - |
dc.contributor.googleauthor | Lee, Seungwoo | - |
dc.contributor.googleauthor | Cho, So-Hye | - |
dc.contributor.googleauthor | Song, Taeseup | - |
dc.contributor.googleauthor | Choi, Heechae | - |
dc.relation.code | 2020051701 | - |
dc.sector.campus | S | - |
dc.sector.daehak | COLLEGE OF ENGINEERING[S] | - |
dc.sector.department | DEPARTMENT OF ENERGY ENGINEERING | - |
dc.identifier.pid | tssong | - |
dc.identifier.researcherID | AAU-9753-2020 | - |
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