[HTML][HTML] Theoretical insights into the mechanism of photocatalytic reduction of CO2 over semiconductor catalysts
S Hussain, Y Wang, L Guo, T He - Journal of Photochemistry and …, 2022 - Elsevier
Photocatalytic reduction of CO 2 is one important approach to alleviate greenhouse gas
emission and energy crisis, which has gained huge attention in the past decades. However …
emission and energy crisis, which has gained huge attention in the past decades. However …
Emerging Dual-Functional 2D transition metal oxides for carbon capture and Utilization: A review
Today, the atmospheric carbon dioxide (CO 2) concentrations have reached an
unprecedented record high of almost 420 ppm since the industrial revolution, resulting in an …
unprecedented record high of almost 420 ppm since the industrial revolution, resulting in an …
First-principles insight into Ni-doped InN monolayer as a noxious gases scavenger
Using first-principles theory, we theoretically investigate the most stable doping site of Ni
atom on pristine InN monolayer and adsorption behavior of Ni-doped InN (Ni-InN) …
atom on pristine InN monolayer and adsorption behavior of Ni-doped InN (Ni-InN) …
Capture and separation of CO2 on BC3 nanosheets: A DFT study
H Yang, C He, L Fu, J Huo, C Zhao, X Li… - Chinese Chemical …, 2021 - Elsevier
In order to reduce the greenhouse effect caused by the rapid increase of CO 2 concentration
in the atmosphere, it is necessary to develop more efficient, controllable, and highly …
in the atmosphere, it is necessary to develop more efficient, controllable, and highly …
TiO2–Doped GeSe Monolayer: A highly selective gas sensor for SF6 decomposed species detection based on DFT method
The detection of SF 6 decomposition species has been a crucial method of fault diagnosis
for insulation equipment. Faced with problems of poor selectivity, low sensitivity and non …
for insulation equipment. Faced with problems of poor selectivity, low sensitivity and non …
Adsorption and sensing of CO and C2H2 by S-defected SnS2 monolayer for DGA in transformer oil: A DFT study
H Cui, P Jia, X Peng, P Li - Materials Chemistry and Physics, 2020 - Elsevier
Chalcogen vacancies in transition metal dichalcogenides (TMDs) play an important role to
tune the electronic property of the whole system. In this work, we using density functional …
tune the electronic property of the whole system. In this work, we using density functional …
Adsorption investigation of CO2 on g-C3N4 surface by DFT calculation
Photocatalytic CO 2 reduction is a widely studied approach applied in abating the
atmospheric CO 2 levels and relieving energy shortage. As the first step in the process of CO …
atmospheric CO 2 levels and relieving energy shortage. As the first step in the process of CO …
Adsorption of gas molecules on graphene-like InN monolayer: A first-principle study
Using first-principles calculation within density functional theory (DFT), we study the gas
(CO, NH 3, H 2 S, NO 2, NO, SO 2) adsorption properties on the surface of single-layer …
(CO, NH 3, H 2 S, NO 2, NO, SO 2) adsorption properties on the surface of single-layer …
Nanosensing of pesticides by zinc oxide quantum dot: an optical and electrochemical approach for the detection of pesticides in water
Present study reveals the low concentrations (∼ 4 ppm) of pesticide sensing vis-à-vis
degradation of pesticides with the help of nontoxic zinc oxide quantum dots (QD). In our …
degradation of pesticides with the help of nontoxic zinc oxide quantum dots (QD). In our …
DFT Studies on the Effects of C Vacancy on the CO2 Capture Mechanism of Silicon Carbide Nanotubes Photocatalyst (Si12C12-X; X = 1; 2)
In this work, we have investigated the capability of CO2 capture by single-walled, carbon-
deficient silicon carbide nanotubes (Si12C12-X; X= 1; 2). All calculations of the properties of …
deficient silicon carbide nanotubes (Si12C12-X; X= 1; 2). All calculations of the properties of …