Comparing Quasiparticle H2O Level Alignment on Anatase and Rutile TiO2

ACS Catalysis

Volumn 5, Issue 7, 2015, Pages 4242-4254

  Sun, Huijuan ^a,c   Mowbray, Duncan J ^c   Migani, Annapaola ^d,e   Zhao, Jin ^a,b   Petek, Hrvoje ^f   Rubio, Angel ^c,g  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^c UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^d CATALAN INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY ICN2   (Spain)

^e CSIC   (Spain)

^f UNIVERSITY OF PITTSBURGH   (United States)

^g MAX PLANCK INSTITUTE FOR THE STRUCTURE AND DYNAMICS OF MATTER   (Germany)

Author keywords

G0W0 calculations; hole trapping; photocatalysis; photooxidation; titania; water splitting

Indexed keywords

ALIGNMENT; ELECTRON-ELECTRON INTERACTIONS; GROUND STATE; HOLE TRAPS; INTERFACE STATES; INTERFACES (MATERIALS); MOLECULAR ORBITALS; OXIDE MINERALS; PHOTOCATALYSIS; PHOTOOXIDATION;

HIGHEST OCCUPIED MOLECULAR ORBITAL; HOLE TRAPPING; PHOTOCATALYTIC ACTIVITIES; PHOTOCATALYTIC INTERFACES; PROJECTED DENSITY OF STATE; TITANIA; VALENCE-BAND MAXIMUMS; WATER SPLITTING;

TITANIUM DIOXIDE;

EID: 84940521040     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/acscatal.5b00529     Document Type: Article

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