Electronic and transport properties of porous graphenes: two-dimensional benzo- and aza-fused π-conjugated-microporous-polymer sheets and boron–nitrogen co-doped derivatives

Yang, Zhao Di; Wu, Wenzhi; Zeng, Xiao Cheng

doi:10.1039/c3tc32363c

Cited by 45 publications

(18 citation statements)

References 32 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Our previous study indicates that two hexagonal BN rings in the primitive unit cell prefer a trans-position arrangement 15. As shown inFig.…”

mentioning

confidence: 74%

“…2 15 Here, the same analysis is applied to the n-Benzo-CMPs. 2 15 Here, the same analysis is applied to the n-Benzo-CMPs.…”

Section: Geometrical Structures and Electronic Properties Of 2d Poroumentioning

confidence: 99%

“…Porous graphene refers to as graphene-like structures with nanometer-scale pores. 15 The computation results show that both benzo-CMP and aza-CMP are semiconductors with direct band gap of 0.92 and 1.07 eV, respectively. [7][8][9][10] Later, some other porous graphene-like structures, namely, biphenylene carbon (BPC) nanosheet and its BN derivatives, are designed and studied theoretically.…”

Section: Introductionmentioning

confidence: 95%

See 2 more Smart Citations

Electronic and transport properties of porous graphene sheets and nanoribbons: benzo-CMPs and BN codoped derivatives

Yang

Zhang

et al. 2015

J. Mater. Chem. C

Self Cite

View full text Add to dashboard Cite

†Electronic supplementary information (ESI) available: Schematic diagram of method shearing two dimensional porous graphene sheet into different kind of nanoribbons; PDOS of two-probe device of 3-Benzo-CMP, BN-3-Benzo-CMP and BN-p-3ZGNR(w=4) at 0.0 and 2.0 V bias voltage; I-V b curves of BN-p-3AGNR(w=2), BN-p-4AGNR(w=2), BN-p-5AGNR(w=2), BN-p-4ZGNR(w=4) and BN-p-5ZGNR(w=4).Abstract We investigate the electronic and electron transport properties of a series of 2D porous n-Benzo-CMPs (CMP refers to π-conjugated microporous polymers) sheets with different pore size n and their boron-nitride (BN) codoped derivatives, BN-n-Benzo-CMPs, as well as one-dimensional (1D) porous graphene nanoribbons (p-GNRs) tailored from n-Benzo-CMPs and BN-n-Benzo-CMPs using density-functional theory (DFT) and the non-equilibrium Green's function (NEGF) methods.We find that the n-Benzo-CMPs and BN-n-Benzo-CMPs (n = 3, 4, 5) sheets are all semiconductors with direct band gaps (0.57 -1.75 eV). Their band gap decreases with increasing the pore size n. In addition, the 1D armchair and zigzag P-GNRs tailored from 2D n-Benzo-CMPs and BN-n-Benzo-CMPs (n = 3, 4, 5) sheets are all semiconductor with the band gaps ranging from 0.19 to 2.0 eV. BN codoping, pore size (n), and the width of nanoribbons (w) can all be used to tune the band gap of either 2D porous graphenes or their corresponding 1D p-GNRs. Computed current-voltage (I-V b ) curves are consistent with the semiconducting properties and suggest that both BN-3-Benzo-CMP and BN-p-3ZGNR (w = 4) can be exploited for applications in low-dimensional electronics.

show abstract

“…Our previous study indicates that two hexagonal BN rings in the primitive unit cell prefer a trans-position arrangement 15. As shown inFig.…”

mentioning

confidence: 74%

“…2 15 Here, the same analysis is applied to the n-Benzo-CMPs. 2 15 Here, the same analysis is applied to the n-Benzo-CMPs.…”

Section: Geometrical Structures and Electronic Properties Of 2d Poroumentioning

confidence: 99%

Section: Introductionmentioning

confidence: 95%

See 1 more Smart Citation

Electronic and transport properties of porous graphene sheets and nanoribbons: benzo-CMPs and BN codoped derivatives

Yang

Zhang

et al. 2015

J. Mater. Chem. C

Self Cite

View full text Add to dashboard Cite

show abstract

“…39,40 In computational studies, C 5 N 2 was demonstrated to be a a Institute of Functional Materials Chemistry, Key Laboratory of Polyoxometalate semiconductor with a direct bandgap of about 1.1 eV. 41,42 Besides, the well-ordered holes of the C 5 N 2 make it a promising support to anchor B atoms in vacancies. Similar to C 2 N and C 3 N 4 , the properties of C 5 N 2 may also be tuned by doping B.…”

Section: Introductionmentioning

confidence: 99%

Metal-free C₅N₂ doped with a boron atom as an efficient electrocatalyst for the nitrogen reduction reaction

et al. 2022

View full text Add to dashboard Cite

show abstract

“…[ 68 ] Later, Zeng and coworkers investigated an aza‐CMP in a 2D honeycomb structure through computer simulation. [ 69 ] The aza‐CMP showed an extremely narrowed bandgap at about 1.07 eV and a broad spectral adsorption range to the NIR.…”

Section: Optimization Of Physico–chemical Properties Of Cmpsmentioning

confidence: 99%

Recent Advances of Conjugated Microporous Polymers in Visible Light–Promoted Chemical Transformations

Qian

Zhang

2020

Solar RRL

View full text Add to dashboard Cite

In the past decades, enormous efforts have been put into visible light–promoted photocatalytic chemical transformations. Among the intensely studied photocatalytic systems, metal‐free, pure organic and heterogeneous photocatalysts based on conjugated microporous polymers (CMPs), a class of organic porous materials featuring π‐conjugated backbone and permanent microporosity, draw much attention. The CMP‐based photocatalysts are highly attractive because of their pure organic nature, ease of synthesis, structural diversity, and nontoxicity, as well as low costs. Over the past years, various CMPs have been synthesized for a broad range of photocatalytic applications. Herein, the aim is to deliver an updated summary of this field with the focus on crucial factors, which largely affect the catalytic performance of CMPs. To name a few, band structure, charge separation and transfer, and morphology are described combined with specific energy‐ and organosynthesis‐related applications such as water splitting, CO2 reduction, organic photoredox reactions, etc.

show abstract

Electronic and transport properties of porous graphenes: two-dimensional benzo- and aza-fused π-conjugated-microporous-polymer sheets and boron–nitrogen co-doped derivatives

Abstract: 2D benzo-CMP and aza-CMP sheets and their BN co-doped derivatives possess distinct structural, electronic and transport properties that are notably different from those of graphene.

Cited by 45 publications

References 32 publications

Electronic and transport properties of porous graphene sheets and nanoribbons: benzo-CMPs and BN codoped derivatives

Electronic and transport properties of porous graphene sheets and nanoribbons: benzo-CMPs and BN codoped derivatives

Metal-free C₅N₂ doped with a boron atom as an efficient electrocatalyst for the nitrogen reduction reaction

Recent Advances of Conjugated Microporous Polymers in Visible Light–Promoted Chemical Transformations

Contact Info

Product

Resources

About

Electronic and transport properties of porous graphenes: two-dimensional benzo- and aza-fused π-conjugated-microporous-polymer sheets and boron–nitrogen co-doped derivatives

Abstract: 2D benzo-CMP and aza-CMP sheets and their BN co-doped derivatives possess distinct structural, electronic and transport properties that are notably different from those of graphene.

Cited by 45 publications

References 32 publications

Electronic and transport properties of porous graphene sheets and nanoribbons: benzo-CMPs and BN codoped derivatives

Electronic and transport properties of porous graphene sheets and nanoribbons: benzo-CMPs and BN codoped derivatives

Metal-free C5N2 doped with a boron atom as an efficient electrocatalyst for the nitrogen reduction reaction

Recent Advances of Conjugated Microporous Polymers in Visible Light–Promoted Chemical Transformations

Contact Info

Product

Resources

About

Metal-free C₅N₂ doped with a boron atom as an efficient electrocatalyst for the nitrogen reduction reaction