| LDR | | 02412nmm uu200433 4500 |
| 001 | | 000000332519 |
| 005 | | 20240805170935 |
| 008 | | 181129s2018 |||||||||||||||||c||eng d |
| 020 | |
▼a 9780438063303 |
| 035 | |
▼a (MiAaPQ)AAI10787998 |
| 035 | |
▼a (MiAaPQ)unc:17647 |
| 040 | |
▼a MiAaPQ
▼c MiAaPQ
▼d 248032 |
| 082 | 0 |
▼a 541 |
| 100 | 1 |
▼a Li, Lesheng. |
| 245 | 10 |
▼a Quantum Dynamics of Excited Charge Carrier at Heterogeneous Interface between Semiconductor and Organic Molecule. |
| 260 | |
▼a [S.l.] :
▼b The University of North Carolina at Chapel Hill.,
▼c 2018 |
| 260 | 1 |
▼a Ann Arbor :
▼b ProQuest Dissertations & Theses,
▼c 2018 |
| 300 | |
▼a 144 p. |
| 500 | |
▼a Source: Dissertation Abstracts International, Volume: 79-10(E), Section: B. |
| 500 | |
▼a Advisers: Yosuke Kanai |
| 502 | 1 |
▼a Thesis (Ph.D.)--The University of North Carolina at Chapel Hill, 2018. |
| 520 | |
▼a Developing a quantitative understanding of excited charge carrier dynamics at heterogeneous interfaces between semiconductor and organic molecules is of great practical importance in advanced technologically important applications. Despite great |
| 520 | |
▼a In this work, we systematically investigated several aspects of excited carrier dynamics at semiconductor-molecule interfaces via first-principles quantum mechanics simulations that are synergistically combined with the fewest-switches surface h |
| 520 | |
▼a We then investigated how molecular details such as surface coverage and adsorbate species influence hot electron transfer. Counterintuitively, increasing surface coverage was found to suppress hot electron transfer probability because the increa |
| 520 | |
▼a Finally, we examined the extent to which exchange-correlation approximations influence the interfacial charge transfer at a representative heterogeneous interface. We showed how the charge transfer kinetics are influenced by the exchange-correla |
| 590 | |
▼a School code: 0153. |
| 650 | 4 |
▼a Physical chemistry. |
| 650 | 4 |
▼a Materials science. |
| 690 | |
▼a 0494 |
| 690 | |
▼a 0794 |
| 710 | 20 |
▼a The University of North Carolina at Chapel Hill.
▼b Chemistry. |
| 773 | 0 |
▼t Dissertation Abstracts International
▼g 79-10B(E). |
| 773 | |
▼t Dissertation Abstract International |
| 790 | |
▼a 0153 |
| 791 | |
▼a Ph.D. |
| 792 | |
▼a 2018 |
| 793 | |
▼a English |
| 856 | 40 |
▼u http://www.riss.kr/pdu/ddodLink.do?id=T14997427
▼n KERIS |
| 980 | |
▼a 201812
▼f 2019 |
| 990 | |
▼a 관리자 |