Synergistic interaction of perovskite oxides and N-doped graphene in versatile electrocatalyst

2019 ◽  
Vol 7 (5) ◽  
pp. 2048-2054 ◽  
Author(s):  
Yunfei Bu ◽  
Haeseong Jang ◽  
Ohhun Gwon ◽  
Su Hwan Kim ◽  
Se Hun Joo ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Synergistic Effects ◽  
Perovskite Oxides ◽  
Synergistic Interaction ◽  
Catalytic Activities ◽  
Doped Graphene

A new catalyst, P-3G simultaneously exhibited outstanding multifunctional catalytic activities for the ORR, OER, and HER. The synergistic effects between perovskite oxides and 3DNG was firstly proposed by DFT calculations.

N-doped graphene as a nanostructure adsorbent for carbon monoxide: DFT calculations

2016 ◽  
Vol 114 (11) ◽  
pp. 1756-1762 ◽  
Author(s):  
Ali Shokuhi Rad ◽  
Sahand Sadeghi Shabestari ◽  
Seyed Ahmad Jafari ◽  
Mohammad Reza Zardoost ◽  
Ali Mirabi
Keyword(s):  
Carbon Monoxide ◽  
Dft Calculations ◽  
Doped Graphene

scholarly journals Antimicrobial and Synergistic Effects of Commercial Piperine and Piperlongumine in Combination with Conventional Antimicrobials

Antibiotics ◽  
2019 ◽  
Vol 8 (2) ◽  
pp. 55 ◽  
Author(s):  
Eunice Ego Mgbeahuruike ◽  
Milla Stålnacke ◽  
Heikki Vuorela ◽  
Yvonne Holm
Keyword(s):  
Adverse Effects ◽  
Bacterial Infections ◽  
Concentration Index ◽  
Inhibitory Concentration ◽  
Synergistic Effects ◽  
Public Health Problem ◽  
Synergistic Interaction ◽  
Fractional Inhibitory Concentration Index ◽  
Conventional Antibiotics ◽  
Antagonistic Interactions

Microbial resistance to currently available antibiotics is a public health problem in the fight against infectious diseases. Most antibiotics are characterized by numerous side effects that may be harmful to normal body cells. To improve the efficacy of these antibiotics and to find an alternative way to minimize the adverse effects associated with most conventional antibiotics, piperine and piperlongumine were screened in combination with conventional rifampicin, tetracycline, and itraconazole to evaluate their synergistic, additive, or antagonistic interactions against Staphylococcus aureus, Pseudomonas aeruginosa, and Candida albicans. The fractional inhibitory concentration index was used to estimate the synergistic effects of various combination ratios of the piperamides and antibiotics against the bacterial and fungal strains. Both piperine and piperlongumine showed synergistic effects against S. aureus when combined at various ratios with rifampicin. Synergistic interaction was also observed with piperine in combination with tetracycline against S. aureus, while antagonistic interaction was recorded for piperlongumine and tetracycline against S. aureus. All the piperamide/antibacterial combinations tested against P. aeruginosa showed antagonistic effects, with the exception of piperine and rifampicin, which recorded synergistic interaction at a ratio of 9:1 rifampicin/piperine. No synergistic interaction was observed when the commercial compounds were combined with itraconazole and tested against C. albicans. The results showed that piperine and piperlongumine are capable of improving the effectiveness of rifampicin and tetracycline. Dosage combinations of these bioactive compounds with the antibiotics used may be a better option for the treatment of bacterial infections that aims to minimize the adverse effects associated with the use of these conventional antibacterial drugs.

Oxygen reduction reaction mechanism on P, N co-doped graphene: a density functional theory study

2019 ◽  
Vol 43 (48) ◽  
pp. 19308-19317 ◽  
Author(s):  
Zhao Liang ◽  
Chao Liu ◽  
Mingwei Chen ◽  
Xiaopeng Qi ◽  
Pramod Kumar U. ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Catalytic Activity ◽  
Reaction Mechanism ◽  
Dft Calculations ◽  
Density Functional ◽  
Reduction Reaction ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Doped Graphene ◽  
Co Doped

DFT calculations confirmed that the P–N coupled site changed the ORR pathway and improved the catalytic activity compared with single doping.

Band-gap tuning of graphene by Be doping and Be, B co-doping: a DFT study

RSC Advances ◽  
2015 ◽  
Vol 5 (69) ◽  
pp. 55762-55773 ◽  
Author(s):  
Saif Ullah ◽  
Akhtar Hussain ◽  
WaqarAdil Syed ◽  
Muhammad Adnan Saqlain ◽  
Idrees Ahmad ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Dft Calculations ◽  
First Principles ◽  
Density Functional ◽  
Functional Theory ◽  
Co Doping ◽  
Structural And Electronic Properties ◽  
Doped Graphene ◽  
Band Gap Tuning ◽  
Co Doped

First-principles density functional theory (DFT) calculations were carried out to investigate the structural and electronic properties of beryllium (Be) doped and, Be with boron (B) co-doped graphene systems.

Theoretical insight into the catalytic activities of oxygen reduction reaction on transition metal–N4 doped graphene

2018 ◽  
Vol 42 (12) ◽  
pp. 9620-9625 ◽  
Author(s):  
Cong Yin ◽  
Hao Tang ◽  
Kai Li ◽  
Yuan Yuan ◽  
Zhijian Wu
Keyword(s):  
Transition Metal ◽  
Oxygen Reduction Reaction ◽  
Oxygen Reduction ◽  
Reduction Reaction ◽  
Catalytic Activities ◽  
Doped Graphene ◽  
Theoretical Insight ◽  
Insight Into

The ORR (OER) activities are expressed as the function of ΔGads(O) on the M–N4-C composites and the best component can be predicted.

Spinel nickel ferrite nanoparticles strongly cross-linked with multiwalled carbon nanotubes as a bi-efficient electrocatalyst for oxygen reduction and oxygen evolution

RSC Advances ◽  
2015 ◽  
Vol 5 (90) ◽  
pp. 73834-73841 ◽  
Author(s):  
Pengxi Li ◽  
Ruguang Ma ◽  
Yao Zhou ◽  
Yongfang Chen ◽  
Qian Liu ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Oxygen Reduction ◽  
Strong Coupling ◽  
Oxygen Evolution ◽  
Nickel Ferrite ◽  
Synergistic Effects ◽  
Ferrite Nanoparticles ◽  
Multiwalled Carbon ◽  
Catalytic Activities ◽  
Nickel Ferrite Nanoparticles

NiFe2O4 nanoparticles successfully cross-linked with the outer walls of MWCNTs demonstrate excellent catalytic activities and stabilities for both the ORR and OER compared to commercial Pt/C, owing to the strong coupling and synergistic effects.

Epoxidation of ethylene over Pt-, Pd- and Ni-doped graphene in the presence of N2O as an oxidant: a comparative DFT study

2017 ◽  
Vol 41 (18) ◽  
pp. 9815-9825 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Nasibeh Saeidi ◽  
Leila Dinparast
Keyword(s):  
Density Functional Theory ◽  
Ethylene Oxide ◽  
Density Functional ◽  
Graphene Nanosheets ◽  
Density Functional Theory Calculations ◽  
Dft Study ◽  
Functional Theory ◽  
Catalytic Activities ◽  
The Density Functional Theory ◽  
Doped Graphene

The catalytic activities of Pt-, Pd-, and Ni-doped graphene nanosheets for the oxidation of ethylene to ethylene oxide by N2O molecule are compared using the density functional theory calculations.

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