Zhang Yibo, Zhou Ming, Yang Mingyang, Yu Jianwen, Li Wenming, Li Xuyin, Feng Shijia
State Key Laboratory of Tribology, School of Mechanical Engineering, Tsinghua University, Beijing 100084, China.
Key Laboratory of Advanced Materials Processing Technology, Ministry of Education, Tsinghua University, Beijing 100084, China.
ACS Appl Mater Interfaces. 2022 Jul 20;14(28):32330-32340. doi: 10.1021/acsami.2c03762. Epub 2022 Jul 7.
A new two-dimensional material BS has been successfully synthesized for the first time and validated using first-principles calculations, with fundamental properties analyzed in detail. BS has a similar structure as transition-metal dichalcogenides (TMDs) such as MoS, and the experimentally prepared free-standing BS nanosheets show a uniform height profile lower than 1 nm. A thickness-modulated and unique oxidation-level dependent band gap of BS is revealed by theoretical calculations, and vibration signatures are determined to offer a practical scheme for the characterization of BS. It is shown that the functionalized BS is able to provide favorable sites for lithium adsorption with low diffusion barriers, and the prepared BS shows a wide band photoluminescence response. These findings offer a feasible new and lighter member for the TMD-like 2D material family with potential for various aspects of applications, such as an anode material for Li-ion batteries and electronic and optoelectronic devices.
一种新型二维材料BS首次成功合成，并通过第一性原理计算进行了验证，同时对其基本性质进行了详细分析。BS具有与过渡金属二硫属化物（如MoS）类似的结构，实验制备的独立BS纳米片显示出低于1nm的均匀高度轮廓。理论计算揭示了BS厚度调制且独特的与氧化态相关的带隙，并确定了振动特征以提供一种表征BS的实用方案。结果表明，功能化的BS能够为锂吸附提供具有低扩散势垒的有利位点，并且制备的BS显示出宽带光致发光响应。这些发现为类TMD二维材料家族提供了一种可行的新型轻质成员，在锂离子电池的阳极材料以及电子和光电器件等各个应用方面具有潜力。
