Electronic structure of the organic semiconductor copper phthalocyanine: experiment and theory.
The electronic structure of the organic semiconductor copper-phthalocyanine (CuPc) has been determined by a combination of conventional and resonant photoemission, near-edge x-ray absorption, as well as by the first-principles calculations. The experimentally obtained electronic valence band structure of CuPc is in very good agreement with the calculated density of states results, allowing the derivation of detailed site specific information.
Aristov
V Yu
VY
IFW Dresden, D-01069 Dresden, Germany.
Molodtsova
O V
OV
Maslyuk
V V
VV
Vyalikh
D V
DV
Zhilin
V M
VM
Ossipyan
Yu A
YA
Bredow
T
T
Mertig
I
I
Knupfer
M
M
D000465:Algorithms; D002625:Chemistry, Organic / Q000295:instrumentation* / Q000379:methods*; D003300:Copper / Q000737:chemistry*; D004581:Electronics; D004867:Equipment Design; D007211:Indoles / Q000737:chemistry*; D054833:Isoindoles; D008027:Light; D008968:Molecular Conformation; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D017785:Photons; D012666:Semiconductors; D012825:Silicon / Q000737:chemistry; D012984:Software; D013053:Spectrophotometry / Q000295:instrumentation / Q000379:methods
D007211:Indoles; D054833:Isoindoles; D009942:Organometallic Compounds; C015445:copper phthalocyanine; D003300:Copper; C013647:phthalocyanine; D012825:Silicon