Journal ArticleDOI
C3N—A 2D Crystalline, Hole-Free, Tunable-Narrow-Bandgap Semiconductor with Ferromagnetic Properties
Siwei Yang,Wei Li,Wei Li,Cai-Chao Ye,Gang Wang,He Tian,Chong Zhu,Peng He,Guqiao Ding,Xiaoming Xie,Xiaoming Xie,Yang Liu,Yeshayahu Lifshitz,Yeshayahu Lifshitz,Shuit-Tong Lee,Zhenhui Kang,Mianheng Jiang,Mianheng Jiang +17 more
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TLDR
Surprisingly, C3 N exhibits a ferromagnetic order at low temperatures (<96 K) when doped with hydrogen, which opens the door for both fundamental basic research and possible future applications.Abstract:
Graphene has initiated intensive research efforts on 2D crystalline materials due to its extraordinary set of properties and the resulting host of possible applications. Here the authors report on the controllable large-scale synthesis of C3 N, a 2D crystalline, hole-free extension of graphene, its structural characterization, and some of its unique properties. C3 N is fabricated by polymerization of 2,3-diaminophenazine. It consists of a 2D honeycomb lattice with a homogeneous distribution of nitrogen atoms, where both N and C atoms show a D6h -symmetry. C3 N is a semiconductor with an indirect bandgap of 0.39 eV that can be tuned to cover the entire visible range by fabrication of quantum dots with different diameters. Back-gated field-effect transistors made of single-layer C3 N display an on-off current ratio reaching 5.5 × 1010 . Surprisingly, C3 N exhibits a ferromagnetic order at low temperatures (<96 K) when doped with hydrogen. This new member of the graphene family opens the door for both fundamental basic research and possible future applications.read more
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Electronic and optical properties of two-dimensional heterostructures and heterojunctions between doped-graphene and C- and N-containing materials.
Asadollah Bafekry,D. Gogova,Mohamed M. Fadlallah,Nguyen V. Chuong,Mitra Ghergherehchi,M. Faraji,Seyed Amir Hossein Feghhi,Mohamad Oskoeian +7 more
TL;DR: In this paper, the electronic and optical properties of vertical heterostructures (HTSs) and lateral heterojunctions (HTJ) between (B,N)-codoped graphene (dop@Gr) and graphene (Gr), C3N, BC3 and h-BN monolayers are investigated using van der Waals density functional theory calculations.
Journal ArticleDOI
Tunable electronic properties of porous graphitic carbon nitride (C6N7) monolayer by atomic doping and embedding: A first-principle study
Asadollah Bafekry,M. Faraji,Nguyen N. Hieu,A. Bagheri Khatibani,Mohamed M. Fadlallah,D. Gogova,Mitra Ghergherehchi +6 more
TL;DR: In this article , the structural and electronic properties of C6N7 with doped and embedded with various atoms by means of spin-polarized density functional theory calculations were investigated.
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First-principles study of the oxygen reduction reaction on the boron-doped C9N4 metal-free catalyst
TL;DR: In this paper, the authors investigated the oxygen reduction reaction (ORR) under the acid environment catalyzed by the B-doped C9N4 monolayer, a nodal-line semimetal.
Journal ArticleDOI
Carbon Nanodots from an In Silico Perspective
Francesca Mocci,Leon de Villiers Engelbrecht,Chiara Olla,Antonio Cappai,Maria Francesca Casula,Claudio Melis,Luigi Stagi,Aatto Laaksonen,Carlo Maria Carbonaro +8 more
TL;DR: Carbon nanodots (CNDs) are the latest and most shining rising stars among photoluminescent (PL) nanomaterials as discussed by the authors , with a long list of benefits and emerging applications.
Journal ArticleDOI
Phonon-limited mobility for novel two-dimensional semiconductors of BC3 and C3N: First-principles calculation
TL;DR: In this paper, phonon-limited carrier mobility is investigated by an iterative Boltzmann transport equation (IBTE) including electron-phonon interaction (EPI) matrix elements for each scattering process.
References
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Journal ArticleDOI
A metal-free polymeric photocatalyst for hydrogen production from water under visible light
Xinchen Wang,Kazuhiko Maeda,Arne Thomas,Kazuhiro Takanabe,Gang Xin,Johan M. Carlsson,Kazunari Domen,Markus Antonietti +7 more
TL;DR: It is shown that an abundant material, polymeric carbon nitride, can produce hydrogen from water under visible-light irradiation in the presence of a sacrificial donor.
Journal ArticleDOI
Metal-free efficient photocatalyst for stable visible water splitting via a two-electron pathway
Juan Liu,Yang Liu,Naiyun Liu,Yuzhi Han,Xing Zhang,Hui Huang,Yeshayahu Lifshitz,Yeshayahu Lifshitz,Shuit-Tong Lee,Jun Zhong,Zhenhui Kang +10 more
TL;DR: The design and fabrication of a metal-free carbon nanodot–carbon nitride (C3N4) nanocomposite is reported and its impressive performance for photocatalytic solar water splitting is demonstrated.