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Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state

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TLDR
The synthesis of 2D PANI is described via the direct pyrolysis of hexaaminobenzene trihydrochloride single crystals in solid state and contains uniformly distributed nitrogen atoms for multifunctionality; hence, it is anticipated that 2d PANI has strong potential, from wet chemistry to device applications, beyond linear PANI and other 2D materials.
Abstract
The formation of 2D polyaniline (PANI) has attracted considerable interest due to its expected electronic and optoelectronic properties. Although PANI was discovered over 150 y ago, obtaining an atomically well-defined 2D PANI framework has been a longstanding challenge. Here, we describe the synthesis of 2D PANI via the direct pyrolysis of hexaaminobenzene trihydrochloride single crystals in solid state. The 2D PANI consists of three phenyl rings sharing six nitrogen atoms, and its structural unit has the empirical formula of C 3 N. The topological and electronic structures of the 2D PANI were revealed by scanning tunneling microscopy and scanning tunneling spectroscopy combined with a first-principle density functional theory calculation. The electronic properties of pristine 2D PANI films (undoped) showed ambipolar behaviors with a Dirac point of –37 V and an average conductivity of 0.72 S/cm. After doping with hydrochloric acid, the conductivity jumped to 1.41 × 10 3 S/cm, which is the highest value for doped PANI reported to date. Although the structure of 2D PANI is analogous to graphene, it contains uniformly distributed nitrogen atoms for multifunctionality; hence, we anticipate that 2D PANI has strong potential, from wet chemistry to device applications, beyond linear PANI and other 2D materials.

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Molecular engineering of polymeric carbon nitride: advancing applications from photocatalysis to biosensing and more

TL;DR: This review summarizes and highlights a panorama of the latest advancements related to the design and construction of the molecular structure of CN, such as by doping and copolymerization, engineering of the polymerization degree, coordination interaction, covalent and noncovalent functionalization, and modulation of intralayer hydrogen bonding.
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Metal-free photocatalysts for hydrogen evolution.

TL;DR: This review focuses on the discussion of the latest progress and remaining challenges in selected metal-free photocatalysts for hydrogen production and the potential strategies that are deemed necessary to attain high quantum efficiency and high solar-to-hydrogen (STH) conversion efficiency.
Journal ArticleDOI

2D Frameworks of C2N and C3N as New Anode Materials for Lithium-Ion Batteries

TL;DR: Novel layered 2D frameworks with well-defined crystal structures are explored for use as anode materials in lithium-ion batteries for the first time and should provide insights to guide the design and development of their analogues for future energy applications.
Journal ArticleDOI

Ultra high stiffness and thermal conductivity of graphene like C3N

TL;DR: In this paper, the authors explored the mechanical response and thermal transport along pristine, free-standing and single-layer carbon nitride 2D material and conducted extensive first-principles density functional theory (DFT) calculations as well as molecular dynamics simulations.
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Simultaneous Noncovalent Modification and Exfoliation of 2D Carbon Nitride for Enhanced Electrochemiluminescent Biosensing

TL;DR: It is reported that, in conjunction with a π-π stacking interaction, bulk CN could be simultaneously exfoliated via facile mechanical grinding and obtained CN nanosheets (m-CNNS), which not only retained the pristine optoelectronic properties of bulk CN but also enriched a friendly interface for further coupling biomolecules with advanced properties, overcoming the deficiencies of CN in surface science.
References
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Electric Field Effect in Atomically Thin Carbon Films

TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
Journal ArticleDOI

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

TL;DR: A detailed description and comparison of algorithms for performing ab-initio quantum-mechanical calculations using pseudopotentials and a plane-wave basis set is presented in this article. But this is not a comparison of our algorithm with the one presented in this paper.
Journal ArticleDOI

Self-Consistent Equations Including Exchange and Correlation Effects

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