東華大學圖書館 |

語系: 繁體中文

說明(常見問題)

回圖書館首頁

手機版館藏查詢

登入

回首頁

切換: 標籤 | MARC模式 | ISBD

Electronic excitations in light abso...

Ping, Yuan.

FindBook

Google Book

Amazon

博客來

Electronic excitations in light absorbers for photoelectrochemical energy conversion from first-principles calculations.

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Electronic excitations in light absorbers for photoelectrochemical energy conversion from first-principles calculations./
作者:	Ping, Yuan.
面頁冊數:	239 p.
附註:	Source: Dissertation Abstracts International, Volume: 75-01(E), Section: B.
Contained By:	Dissertation Abstracts International75-01B(E).
標題:	Chemistry, General. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3596937
ISBN:	9781303443626

Electronic excitations in light absorbers for photoelectrochemical energy conversion from first-principles calculations.
Ping, Yuan.

Electronic excitations in light absorbers for photoelectrochemical energy conversion from first-principles calculations. - 239 p.

Source: Dissertation Abstracts International, Volume: 75-01(E), Section: B.

Thesis (Ph.D.)--University of California, Davis, 2013.

This dissertation focuses on the study of electronic excited state properties of bulk systems and nanostructured materials by using advanced, ab initio theoretical and computational techniques; the latter encompass Density Functional Theory (DFT), many body perturbation theory (MBPT) and time-dependent DFT. We developed post-DFT methods and computer codes for accurate predictions of photoemission and absorption of light by semiconducting and insulating materials; in addition we applied these methods to investigate promising systems for use as photocathode and photoanode in water splitting devices. The many body perturbation theory methods tackled in this dissertation include the GW approximation for the study of photoemission processes, and the Bethe-Salpeter Equation for the calculation of absorption spectra, including excitonic effects. We present applications of MPBT to semiconducting solids and nanowires and to tungsten oxide solids. In particular we present a study of the opto-electronic properties of WO3 aimed at understanding how to decrease its band gap by insertion of closed shell molecules, and an investigation of tungsten and molybdenum oxide solid solutions with copper, aimed at improving the oxidation properties of pure WO3. In the case of nanowires we also present algorithms specifically devised to efficiently study absorption of light in semi-infinite systems. Our ab initio calculations both helped interpret experiments and predicted ways to improve the properties of tungsten oxide based light absorbers.

ISBN: 9781303443626Subjects--Topical Terms:

1021807
Chemistry, General.

Electronic excitations in light absorbers for photoelectrochemical energy conversion from first-principles calculations.
LDR:02480nam a2200277 4500 001 1960794
005 20140624210010.5
008 150210s2013 ||||||||||||||||| ||eng d
020 $a 9781303443626
035 $a (MiAaPQ)AAI3596937
035 $a AAI3596937
040 $a MiAaPQ $c MiAaPQ
100 1 $a Ping, Yuan. $3 2096522
245 1 0 $a Electronic excitations in light absorbers for photoelectrochemical energy conversion from first-principles calculations.
300 $a 239 p.
500 $a Source: Dissertation Abstracts International, Volume: 75-01(E), Section: B.
500 $a Adviser: Giulia Galli.
502 $a Thesis (Ph.D.)--University of California, Davis, 2013.
520 $a This dissertation focuses on the study of electronic excited state properties of bulk systems and nanostructured materials by using advanced, ab initio theoretical and computational techniques; the latter encompass Density Functional Theory (DFT), many body perturbation theory (MBPT) and time-dependent DFT. We developed post-DFT methods and computer codes for accurate predictions of photoemission and absorption of light by semiconducting and insulating materials; in addition we applied these methods to investigate promising systems for use as photocathode and photoanode in water splitting devices. The many body perturbation theory methods tackled in this dissertation include the GW approximation for the study of photoemission processes, and the Bethe-Salpeter Equation for the calculation of absorption spectra, including excitonic effects. We present applications of MPBT to semiconducting solids and nanowires and to tungsten oxide solids. In particular we present a study of the opto-electronic properties of WO3 aimed at understanding how to decrease its band gap by insertion of closed shell molecules, and an investigation of tungsten and molybdenum oxide solid solutions with copper, aimed at improving the oxidation properties of pure WO3. In the case of nanowires we also present algorithms specifically devised to efficiently study absorption of light in semi-infinite systems. Our ab initio calculations both helped interpret experiments and predicted ways to improve the properties of tungsten oxide based light absorbers.
590 $a School code: 0029.
650 4 $a Chemistry, General. $3 1021807
650 4 $a Chemistry, Physical. $3 560527
690 $a 0485
690 $a 0494
710 2 $a University of California, Davis. $b Chemistry. $3 1679244
773 0 $t Dissertation Abstracts International $g 75-01B(E).
790 $a 0029
791 $a Ph.D.
792 $a 2013
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=3596937