Amorphous graphene: a constituent part of low density amorphous carbon†,Physical Chemistry Chemical Physics

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Amorphous graphene: a constituent part of low density amorphous carbon†
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2018-07-05 00:00:00 , DOI: 10.1039/c8cp02545b
Bishal Bhattarai _{1,

2,

3,

4} , Parthapratim Biswas _{4,

5,

6,

7} , Raymond Atta-Fynn _{4,

8,

9,

10} , D. A. Drabold _{2,

3,

4,

5,

11}

Affiliation

In this paper, we provide evidence that low density nano-porous amorphous carbon (a-C) consists of interconnected regions of amorphous graphene (a-G). We include experimental information in producing models, while retaining the power and accuracy of ab initio methods with no biasing assumptions. Our models are highly disordered with predominant sp² bonding and ring connectivity mainly of sizes 5–8. The structural, dynamical and electronic signatures of our 3-D amorphous graphene are similar to those of monolayer amorphous graphene. We predict an extended x-ray absorption fine structure (EXAFS) signature of amorphous graphene. Electronic density of states calculations for 3-D amorphous graphene reveal similarity to monolayer amorphous graphene and the system is non conducting.

中文翻译：

非晶石墨烯：低密度非晶碳的组成部分†

在本文中，我们提供了证据，表明低密度纳米多孔无定形碳（aC）由无定形石墨烯（aG）的互连区域组成。我们在产生模型时包括了实验信息，同时保留了从头算方法的能力和准确性，而没有任何偏见。我们的模型高度混乱，主要是sp ²键和大小为5-8的环连接。我们的3-D无定形石墨烯的结构，动力学和电子签名与单层无定形石墨烯的相似。我们预测了非晶石墨烯的扩展X射线吸收精细结构（EXAFS）签名。3-D非晶石墨烯的电子态密度计算显示出与单层非晶石墨烯的相似性，并且系统不导电。

更新日期：2018-07-05

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