Synergistic Enhancement of Electrocatalytic Nitrogen Reduction Over Boron Nitride Quantum Dots Decorated Nb 2 CT x ‐MXene

Small ◽  
2021 ◽  
pp. 2102363
Author(s):  
Ke Chu ◽  
Xingchuan Li ◽  
Qingqing Li ◽  
Yali Guo ◽  
Hu Zhang
ACS Nano ◽  
2021 ◽  
Author(s):  
Yamei Ding ◽  
Ping He ◽  
Shaohan Li ◽  
Bo Chang ◽  
Shengli Zhang ◽  
...  

2017 ◽  
Vol 184 (10) ◽  
pp. 4217-4223 ◽  
Author(s):  
Qiuhong Yao ◽  
Yufeng Feng ◽  
Mingcong Rong ◽  
Shaogui He ◽  
Xi Chen

2018 ◽  
Vol 32 (06) ◽  
pp. 1850084 ◽  
Author(s):  
Yi-Min Ding ◽  
Jun-Jie Shi ◽  
Min Zhang ◽  
Meng Wu ◽  
Hui Wang ◽  
...  

It is difficult to integrate two-dimensional (2D) graphene and hexagonal boron-nitride (h-BN) in optoelectronic nanodevices, due to the semi-metal and insulator characteristic of graphene and h-BN, respectively. Using the state-of-the-art first-principles calculations based on many-body perturbation theory, we investigate the electronic and optical properties of h-BN nanosheet embedded with graphene dots. We find that C atom impurities doped in h-BN nanosheet tend to phase-separate into graphene quantum dots (QD), and BNC hybrid structure, i.e. a graphene dot within a h-BN background, can be formed. The band gaps of BNC hybrid structures have an inverse relationship with the size of graphene dot. The calculated optical band gaps for BNC structures vary from 4.71 eV to 3.77 eV, which are much smaller than that of h-BN nanosheet. Furthermore, the valence band maximum is located in C atoms bonded to B atoms and conduction band minimum is located in C atoms bonded to N atoms, which means the electron and hole wave functions are closely distributed around the graphene dot. The bound excitons, localized around the graphene dot, determine the optical spectra of the BNC hybrid structures, in which the exciton binding energies decrease with increase in the size of graphene dots. Our results provide an important theoretical basis for the design and development of BNC-based optoelectronic nanodevices.


2019 ◽  
Vol 7 (25) ◽  
pp. 15173-15180 ◽  
Author(s):  
Yan Huang ◽  
Tongtong Yang ◽  
Li Yang ◽  
Ran Liu ◽  
Guozhen Zhang ◽  
...  

A monodispersed Mo atom supported by a defective borocarbonitride monolayer has been shown to be a durable, efficient and selective N2 reduction electrocatalyst.


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