Pd-doped C3N monolayer: A promising low-temperature and high-activity single-atom catalyst for CO oxidation
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.147881
Abstract: Abstract Using the first-principles theory, we theoretically investigated the CO/O2 adsorption and CO oxidation on the Pd-doped C3N (Pd-C3N) monolayer which we proposed as a low-temperature and high-activity catalyst for CO oxidation. Pd dopant is… read more here.
Keywords: c3n monolayer; oxidation; low temperature;
Transition metal doped C3N monolayer as efficient electrocatalyst for carbon dioxide electroreduction: A computational study
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.148568
Abstract: Abstract Recently, two-dimensional graphitic carbon nitrides have emerged as potential electrocatalysts for CO2 electroreduction (CO2ER). Herein, a series of transition metal (M=Mn-Cu, Ru-Ag) doped C3N monolayer (M-C3N) as a novel CO2ER catalyst has been investigated… read more here.
Keywords: transition metal; metal doped; doped c3n; c3n ... See more keywords
Adsorption of gas molecules on a C3N monolayer and the implications for NO2 sensors
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DOI: 10.1063/1.5128803
Abstract: Recent reports have raised exciting prospects for the use of C3N monolayers exhibiting excellent adsorptive properties in nanodevice applications. In this study, we carried out first-principle calculations to investigate the adsorption of NO2, NO, CO,… read more here.
Keywords: properties c3n; molecules c3n; gas; c3n monolayer ... See more keywords
First-principles study on mechanical and electronic properties of C3N monolayer collaboratively regulated by charged vacancy defect and uniaxial strain
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DOI: 10.1088/1402-4896/ae06cd
Abstract: The first-principles approach is adopted to investigate the collaborative effects of uniaxial strain and charged vacancy on the structural, mechanical, and electrical properties of C3N monolayers. The injection of charge eliminates the structural abnormalities introduced… read more here.
Keywords: strain; c3n monolayer; uniaxial strain; vacancy ... See more keywords