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Semi-empirical studies on electronic structures of a boron-doped graphene layer — implications on the oxidation mechanism

✍ Scribed by X. Ma; Q. Wang; L.-Q. Chen; W. Cermignani; H.H. Schobert; C.G. Pantano


Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
758 KB
Volume
35
Category
Article
ISSN
0008-6223

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✍ Kasinath Nayak 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 291 KB

A~tract--Electronic band structures were investigated for undoped poly(p-phenylene benzodiimidazole) (PDIAB) and also PDIAB doped with the electron acceptors iodine and bromine. The axial band gap of 1.55 eV calculated for the undoped polymer is close to those calculated for the structurally similar