DataVXACS NanoPaper
journal article·2024-11-05

Tailoring the Electronic Structure and Properties of Graphdiyne by Cyano Groups

Lei Gao, Shuailong Wang, Fan Wang, Ze Yang, Xiaodong Li, Jingchi Gao, Daniele Fazzi, Xiang Ye, Xuebin Wang, Changshui Huang

ACS Nano· Volume 18· Issue 44
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Source abstract

Abstract

Two-dimensional (2D) materials, such as 2D carbon-based systems, have been recently the subject of intense studies, thanks to their optoelectronic properties and promising electronic performances. 2D carbon-based materials such as graphdiyne (GDY) represent an optimal platform for tuning the optoelectronic properties via precise chemical functionalization. Here, we report a synthetic strategy to precisely introduce cyano groups into the 2D GDY backbone in order to tune the electronic properties of GDY. Three kinds of cyano-modified GDY have been synthesized, namely, bearing one cyano group (CNGDY), two CN in meta ( m -CNGDY), and two in para ( p -CNGDY) positions. A variety of experimental data as well as first-principles calculations allowed us to elucidate the role of the cyano groups in tuning the structural and functional properties of GDYs. We found that an increase in the number of cyano groups reduces the interlayer spacing between GDY layers, increases the lithium adsorption amount, as well as impacts the lithium diffusion rate, while changes in meta- or para-position impact the energy band gap.
Source: openalex_inverted_index · Quality: baseline

Research context

Electronic materials

OpenAlex topics: Graphene research and applications · 2D Materials and Applications · Boron and Carbon Nanomaterials Research

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Beijing National Laboratory for Molecular Sciences, Organic Solids Laboratory

Institute of Chemistry, Chinese Academy of Sciences

National Laboratory of Solid-State Microstructures (NLSSM), Collaborative Innovation Center of Advanced Microstructures, Jiangsu Key Laboratory of Artificial Functional Materials, College of Engineering and Applied Sciences

Nanjing University

Department of Physics

Shanghai Normal University

Department of Chemistry “Giacomo Ciamician″, University of Bologna, via P. Gobetti 85, Bologna 40129, Italy

Science Center for Material Creation and Energy Conversion, Institute of Frontier and Interdisciplinary Science

Shandong University

College of Energy Storage Technology

Shandong University of Science and Technology

University of Chinese Academy of Sciences

Funding

National Key Research and Development Program of China · National Natural Science Foundation of China · Natural Science Foundation of Shandong Province · Chinese Academy of Sciences

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