In this research, the ability of transition metals (TM)-doped graphene nanosheets to adsorb toxic gas CO has been investigated. The Langmuir adsorption model was used, with a three-layered ONIOM, using CAM-B3LYP functional accompanying LANL2DZ and 6-31+G (d,p) basis sets, Gaussian 16 revision C.01 program, on complexes adsorbed (Fe, Ni, Zn)-doped nanosheets. order changes charge density for Fe-...

A series of Co doped lanthanum silicate apatite-type phases, La9.83Si4.5Co1.5O26, La9.66Si5CoO26, La10Si5CoO26.5 and La8BaCoSi6O26, have been synthesised, and neutron diffraction, EXAFS and XANES used to investigate their structures in detail. All compositions were shown to possess the hexagonal apatite structure, and the results confirmed that cobalt can be doped onto both the La and Si sites ...

A tunable comb filter based on a fiber loop mirror setup, which incorporates a piece of pumped erbium-ytterbium co-doped polarization maintaining fiber, is newly presented. It is accomplished by controlling the pump power or adjusting a polarization controller in the loop mirror, which results from the fact that the effective birefringence of the erbium-ytterbium co-doped polarization maintaini...

The electronic structure of BaFe2As2 doped with Co, Ni, and Cu has been studied by a variety of experimental and theoretical methods, but a clear picture of the dopant 3d states has not yet emerged. Herein we provide experimental evidence of the distribution of Co, Ni, and Cu 3d states in the valence band. We conclude that the Co and Ni 3d states provide additional free carriers to the Fermi le...

Investigating active, stable, and low-cost materials for the oxygen reduction reaction is one of the key challenges in fuel-cell research. In this work, we describe the formation of N-doped carbon shell coated Co@CoO nanoparticles supported on Vulcan XC-72 carbon materials (Co@CoO@N-C/C) based on a simple supramolecular gel-assisted method. The double-shelled Co@CoO@N-C/C core-shell nanoparticl...

A detailed study has been presented of optical, electrical, structural and magnetic properties of Zn1–xCoxO (0 < x ≤ 0.25) films co-doped with 1 at. % of Al. The polycrystalline films have been synthesized on Corning glass 7059 substrates by the sol-gel technique using spin coating. Highly preferential c-axis oriented films have been obtained at the annealing temperature of 600 °C. The lattice ...

In this work, a facile strategy to synthesize oxygen and nitrogen co-doped porous carbon (ONPC) is reported by one-step pyrolysis of waste coffee grounds. As-prepared ONPC possesses highly rich micro/mesopores as well as abundant oxygen and nitrogen co-doping, which is applied to sulfur hosts as lithium/sulfur batteries' appropriate cathodes. In battery testing, the sulfur/oxygen and nitrogen c...

Abstract A novel computational screening study of single transition metal (TM), TM-doped, and dual TMs-doped on CdS (110) surfaces via DFT calculations is presented, focusing their stability catalytic activity, searching for efficient photocatalysts hydrogen production. Criteria based key performance descriptors allowed to fine-tune the selection. Results indicate that TM dopants can reduce ene...

Doping of simple oxide materials can give rise to new exciting physical and chemical properties and open new perspectives for a variety of possible applications. Here we use density functional theory calculations to investigate the B-, C- and N-doped MgO(001) surfaces. We have found that the investigated dopants induce magnetization of the system amounting to 3, 2 and 1 μB for B, C and N, respe...

Using a modified chemical vapor deposition (CVD) method, we have prepared a class of new graphene foams (GFs) doped with nitrogen, boron or both. Nitrogen-doped graphene foams (N-GFs) with a nitrogen doping level of 3.1 atom% were prepared by CVD of CH4 in the presence of NH3 while boron-doped graphene foams (B-GFs) with a boron doping level of 2.1 atom% were produced by using toluene and triet...