CuO is a good photoelectric material with excellent performance, and its crystal structure, electronic structure, and optical properties have been extensively studied. To further illustrate the charge distribution and the carrier transport in this system, the e-h recombination dynamics was studied. It is found that N doping induced a shallower impurity band above the VBM, leading to significant charge localization around the impurity atom. NAMD simulation reveals that the N doping system possesses a longer e-h nonradiative recombination time scale. Therefore, we demonstrate that the formation of the impurity band and charge localization play an essential role in suppressing e-h recombination in N doping systems. This work is conducive for understanding the carrier transport mechanism in N-doped CuO.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413821PMC
http://dx.doi.org/10.1021/acsomega.3c03916DOI Listing

Publication Analysis

Top Keywords

n-doped cuo
8
carrier transport
8
e-h recombination
8
impurity band
8
charge localization
8
initio time-domain
4
time-domain study
4
charge
4
study charge
4
charge relaxation
4

Similar Publications

Significant efforts have recently been exerted toward construction of singlet oxygen (O)-dominated catalytic oxidation systems for selective removal of organic contaminants from wastewater, with peroxides serving as the chemical source. However, the relevance of O in the removal of pollutants remains ambiguous and requires elucidation. In this study, we scrupulously exclude the significant role of O in contaminant degradation in various peroxymonosulfate (PMS) activation systems.

View Article and Find Full Text PDF

The chemical co-precipitation method, an effective approach in the synthesis of nanomaterials, was used to synthesize CuO nanoparticles (NPs). Structural and morphological modification of undoped and nitrogen (N) doped CuO nanoparticles were studied thoroughly using X-ray diffraction (XRD), FT-IR and field emission scanning electron microscope (FE SEM). Doping effect on defects was investigated using X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and photoluminescence (PL) spectroscopy.

View Article and Find Full Text PDF

Electrochemical activation usually accompanies in situ atom rearrangement forming new catalytic sites with higher activity due to reconstructed atomic clusters or amorphous phases with abundant dangling bonds, vacancies, and defects. By harnessing the pre-catalytic process of reconstruction, a multilevel structure of CuNi alloy nanoparticles encapsulated in N-doped carbon (CuNi nanoalloy@N/C) transforms into a highly active compound of Ni-doped CuO nanocluster supported on (N/O-C) co-doped C. Both the exposure of accessible active sites and the activity of individual active sites are greatly improved after the pre-catalytic reconstruction.

View Article and Find Full Text PDF

Naphthalocyanine and its derivatives are new types of functional materials with wide application prospects. This paper discusses the synthesis of copper tetra -butyl-naphthalocyanine (CuNc) and analyses its molecular and electronic structure. Next, CuNc is combined with graphene oxide (GO) through π-π interaction and then pyrolyzed to form a CuNc/GO composite.

View Article and Find Full Text PDF

Engineering cuboctahedral N-doped C-coated p-CuO/n-TiO heterojunctions toward high-performance photocatalytic cross-dehydrogenative coupling.

Nanoscale

August 2023

Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional Materials, School of Chemistry and Material Science, Jiangsu Normal University, Xuzhou, Jiangsu 221116, P. R. China.

The low separation efficiency of photogenerated electron-hole (e-h) pairs severely limits the activation of photocatalyts. One brilliant strategy is to construct a p-n type semiconductor heterojunction, which can establish an inner electric field to separate the e-h pairs with high efficiency. Here, for the first time, a cuboctahedral N-doped carbon-coated CuO/TiO p-n heterojunction (CuO-TiO@N-C) was designed and fabricated successfully direct calcination of a benzimidazole-modulated cuboctahedral HKUST-Cu with titanium-tetraisopropanolate absorbed inside concomitantly.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!