Adsorption mechanism of methylene blue on oxygen-containing functional groups modified graphitic carbon spheres: Experiment and DFT study

2021 ◽  
Vol 540 ◽  
pp. 148386
Author(s):  
Saisai Li ◽  
Liang Huang ◽  
Haijun Zhang ◽  
Zhong Huang ◽  
Quanli Jia ◽  
...  
Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1819
Author(s):  
Yongpeng Ren ◽  
Feng Chen ◽  
Kunming Pan ◽  
Yang Zhao ◽  
Lulu Ma ◽  
...  

Heteroatom-doped carbon is widely used in the fields of adsorbents, electrode materials and catalysts due to its excellent physicochemical properties. N and S co-doped porous carbon spheres (N,S-PCSs) were synthesized using glucose and L-cysteine as carbon and heteroatom sources using a combined hydrothermal and KOH activation process. The physicochemical structures and single-factor methylene blue (MB) adsorption properties of the N,S-PCSs were then studied. The optimized N,S-PCSs-1 possessed a perfect spherical morphology with a 2–8-μm diameter and a large specific area of 1769.41 m2 g−1, in which the N and S contents were 2.97 at% and 0.88 at%, respectively. In the single-factor adsorption experiment for MB, the MB adsorption rate increased with an increase in carbon dosage and MB initial concentration, and the adsorption reached equilibrium within 2–3 h. The pseudo-second-order kinetic model could excellently fit the experimental data with a high R2 (0.9999). The Langmuir isothermal adsorption equation fitted well with the experimental results with an R2 value of 0.9618, and the MB maximum adsorption quantity was 909.10 mg g−1. The adsorption of MB by N,S-PCSs-1 was a spontaneous, endothermic, and random process based on the thermodynamics analyses. The adsorption mechanism mainly involved Van der Waals force adsorption, π-π stacking, hydrogen bonds and Lewis acid–base interactions.


Author(s):  
Luiz Antonio Ribeiro Junior ◽  
Raphael Tromer ◽  
Ramiro Marcelo dos Santos ◽  
D. S. Galvao

Recently, it was experimentally shown that the performance and thermal stability of the perovskite MAPbI3 were improved upon the adsorption of a molecular layer of caffeine. In this work, we...


RSC Advances ◽  
2021 ◽  
Vol 11 (14) ◽  
pp. 7779-7789 ◽  
Author(s):  
Asmat Ullah Khan ◽  
Rasheed Ahmad Khera ◽  
Naveed Anjum ◽  
Rao Aqil Shehzad ◽  
Saleem Iqbal ◽  
...  

DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl4) and superalkali (NLi4) doped graphitic carbon nitride (GCN).


1965 ◽  
Vol 32 (2) ◽  
pp. 193-201 ◽  
Author(s):  
R. D. Hill ◽  
Raione R. Laing

Summaryk-Casein and whole casein when photo-oxidized in the presence of methylene blue lose the ability to clot when treated with rennin. Two effects are involved—first the photo-oxidation alters the k-casein fraction so that the rennin is unable to split off the glycopeptide fragment, and secondly, in whole casein the photo-oxidation interferes with the aggregation in the presence of Ca++that normally follows rennin action. As a result of amino acid analysis and specific treatments which affect other photo-oxidizable side chains, it is concluded that both of these effects are caused by the alteration of histidines.


Author(s):  
Mei Wang ◽  
Yongqin He ◽  
Yao Zhu ◽  
Zhi-Bin Song ◽  
Xiao-Yu Wang ◽  
...  

A wavelength-regulated, organic dye methylene blue catalyzed stereodivergent synthesis of (Z)- and (E)-1,4-enediones from stabilized phosphorous ylides is reported. A broad range of substrates and functional groups are tolerated. Mechanistic...


2020 ◽  
Vol 9 (3) ◽  
pp. 9-14
Author(s):  
Hao Pham Van ◽  
Linh Ha Xuan ◽  
Oanh Phung Thi ◽  
Hong Phan Ngoc ◽  
Huy Nguyen Nhat ◽  
...  

This report presents the effect of synthesis conditions on the synthesis of graphene nanosheets via electrochemical exfoliation method for adsorbing methylene blue from aqueous solution. Oxygen-containing functional groups and defects in the material were characterized by Raman and X-ray photoelectron spectroscopy (XPS). As a result, by using voltage of 15 V, (NH4)2SO4 (5%, 250 mL) and KOH (7.5%, 250 mL), the obtained material showed the highest MB adsorption capacity due to the high densities of oxygen-containing groups and defects comparison to other conditions.


Author(s):  
Pham Trong Lam ◽  
Ta Thi Luong ◽  
Vo Van On ◽  
An Dinh Van

In this work, we investigated the adsorption mechanism of acetone and toluene on the surface of silicene by the quantum simulation method. The images of the potential energy surfaces for different positions of the adsorbate on the silicene surface were explored by Computational DFT-based Nanoscope tool for determination of the most stable configurations and diffusion possibilities. The charge transfer in order of 0.2 – 0.3 electrons and the tunneling gap opening of 18 – 23 meV due to acetone and toluene, respectively, suggest that silicene is considerably sensitive with these VOCs and can be used as the material in the fabrication of reusable VOC sensors.


2014 ◽  
Vol 27 ◽  
pp. 966-974 ◽  
Author(s):  
Dongying Fu ◽  
Gaoyi Han ◽  
Feifei Liu ◽  
Yaoming Xiao ◽  
Hongfei Wang ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document