Probing the chemical and electronic properties of the core–shell architecture of transition metal trisulfide nanoribbons

Nanoscale ◽  
2012 ◽  
Vol 4 (2) ◽  
pp. 607-612 ◽  
Author(s):  
M. O. King ◽  
M. Popland ◽  
S. J. Denholme ◽  
D. H. Gregory ◽  
D. A. MacLaren ◽  
...  
Nanoscale ◽  
2021 ◽  
Author(s):  
Jennifer G. DiStefano ◽  
Akshay A. Murthy ◽  
Shiqiang Hao ◽  
Roberto dos Reis ◽  
Chris Wolverton ◽  
...  

Correction for ‘Topology of transition metal dichalcogenides: the case of the core–shell architecture’ by Jennifer G. DiStefano et al., Nanoscale, 2020, 12, 23897–23919, DOI: 10.1039/D0NR06660E.


2000 ◽  
Vol 658 ◽  
Author(s):  
Gregory J. Moore ◽  
Dominique Guyomard ◽  
Scott H. Elder

ABSTRACTA fundamental study of the Li insertion behavior of a series of materials consisting of a TiO2 core having MoO3 on the surface has been carried out in order to determine the influence of the shell. These TiO2-(MoO3)z materials, where (z) denotes the fraction of coverage from a partial to a double layer, range in diameter from 40-100 Å. Calculations have been done on their theoretical lithium capacity using a maximum of Li0.5TiO2 for the core, and Li1.5MoO3 at the TiO2/MoO3 interface, and they have been compared to that found experimentally. The reversible Li-insertion capacity was shown to increase from 0.34 per Ti for the pure TiO2 sample, to 0.91 Li per transition metal when the MoO3 coverage increased to one monolayer. There was only one plateau observed in the electrochemical scans for the samples showing that they function as a single-phase material making them interesting for electrodes. The redox voltage of the TiO2/Li0.5TiO2 biphasic transformation increased 60 mV from the pure TiO2 to the sample containing one monolayer of MoO3. This effect was interpreted as due to a change in TiO2 surface charge coming from an inductive effect of Ti-O-Mo bonds.


2006 ◽  
Vol 18 (4) ◽  
pp. 044019 ◽  
Author(s):  
Bo Lei ◽  
Song Han ◽  
Chao Li ◽  
Daihua Zhang ◽  
Zuqin Liu ◽  
...  

Nanoscale ◽  
2020 ◽  
Vol 12 (47) ◽  
pp. 23897-23919
Author(s):  
Jennifer G. DiStefano ◽  
Akshay A. Murthy ◽  
Shiqiang Hao ◽  
Roberto dos Reis ◽  
Chris Wolverton ◽  
...  

This review paper highlights the rich opportunities of curvature and architecture in transition metal dichalcogenides for improved material design.


2021 ◽  
Author(s):  
Jingjing Ma ◽  
Huan Zhang ◽  
Yucheng Xin ◽  
Shanqin Liu ◽  
Yuanchao Li ◽  
...  

Transition metal phosphides are used as anode materials for the lithium-ion batteries because of the high theoretical capacity and low polarization. In this work, the core-shell GaP@C nanocomposite was successfully...


2020 ◽  
Vol 65 (10) ◽  
pp. 904
Author(s):  
V. O. Zamorskyi ◽  
Ya. M. Lytvynenko ◽  
A. M. Pogorily ◽  
A. I. Tovstolytkin ◽  
S. O. Solopan ◽  
...  

Magnetic properties of the sets of Fe3O4(core)/CoFe2O4(shell) composite nanoparticles with a core diameter of about 6.3 nm and various shell thicknesses (0, 1.0, and 2.5 nm), as well as the mixtures of Fe3O4 and CoFe2O4 nanoparticles taken in the ratios corresponding to the core/shell material contents in the former case, have been studied. The results of magnetic research showed that the coating of magnetic nanoparticles with a shell gives rise to the appearance of two simultaneous effects: the modification of the core/shell interface parameters and the parameter change in both the nanoparticle’s core and shell themselves. As a result, the core/shell particles acquire new characteristics that are inherent neither to Fe3O4 nor to CoFe2O4. The obtained results open the way to the optimization and adaptation of the parameters of the core/shell spinel-ferrite-based nanoparticles for their application in various technological and biomedical domains.


2018 ◽  
Author(s):  
Srimanta Pakhira ◽  
Jose Mendoza-Cortes

<div>Covalent organic frameworks (COFs) have emerged as an important class of nano-porous crystalline materials with many potential applications. They are intriguing platforms for the design of porous skeletons with special functionality at the molecular level. However, despite their extraordinary properties, it is difficult to control their electronic properties, thus hindering the potential implementation in electronic devices. A new form of nanoporous material, COFs intercalated with first row transition metal is proposed to address this fundamental drawback - the lack of electronic tunability. Using first-principles calculations, we have designed 31 new COF materials <i>in-silico</i> by intercalating all of the first row transition metals (TMs) with boroxine-linked and triazine-linked COFs: COF-TM-x (where TM=Sc-Zn and x=3-5). This is a significant addition considering that only 187 experimentally COFs structures has been reported and characterized so far. We have investigated their structure and electronic properties. Specifically, we predict that COF's band gap and density of states (DOSs) can be controlled by intercalating first row transition metal atoms (TM: Sc - Zn) and fine tuned by the concentration of TMs. We also found that the $d$-subshell electron density of the TMs plays the main role in determining the electronic properties of the COFs. Thus intercalated-COFs provide a new strategy to control the electronic properties of materials within a porous network. This work opens up new avenues for the design of TM-intercalated materials with promising future applications in nanoporous electronic devices, where a high surface area coupled with fine-tuned electronic properties are desired.</div>


Doklady BGUIR ◽  
2020 ◽  
Vol 18 (7) ◽  
pp. 87-95
Author(s):  
M. S. Baranava ◽  
P. A. Praskurava

The search for fundamental physical laws which lead to stable high-temperature ferromagnetism is an urgent task. In addition to the already synthesized two-dimensional materials, there remains a wide list of possible structures, the stability of which is predicted theoretically. The article suggests the results of studying the electronic properties of MAX3 (M = Cr, Fe, A = Ge, Si, X = S, Se, Te) transition metals based compounds with nanostructured magnetism. The research was carried out using quantum mechanical simulation in specialized VASP software and calculations within the Heisenberg model. The ground magnetic states of twodimensional MAX3 and the corresponding energy band structures are determined. We found that among the systems under study, CrGeTe3 is a semiconductor nanosized ferromagnet. In addition, one is a semiconductor with a bandgap of 0.35 eV. Other materials are antiferromagnetic. The magnetic moment in MAX3 is localized on the transition metal atoms: in particular, the main one on the d-orbital of the transition metal atom (and only a small part on the p-orbital of the chalcogen). For CrGeTe3, the exchange interaction integral is calculated. The mechanisms of the formation of magnetic order was established. According to the obtained exchange interaction integrals, a strong ferromagnetic order is formed in the semiconductor plane. The distribution of the projection density of electronic states indicates hybridization between the d-orbital of the transition metal atom and the p-orbital of the chalcogen. The study revealed that the exchange interaction by the mechanism of superexchange is more probabilistic.


Catalysts ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 72
Author(s):  
Christian Zambrzycki ◽  
Runbang Shao ◽  
Archismita Misra ◽  
Carsten Streb ◽  
Ulrich Herr ◽  
...  

Core-shell materials are promising functional materials for fundamental research and industrial application, as their properties can be adapted for specific applications. In particular, particles featuring iron or iron oxide as core material are relevant since they combine magnetic and catalytic properties. The addition of an SiO2 shell around the core particles introduces additional design aspects, such as a pore structure and surface functionalization. Herein, we describe the synthesis and application of iron-based core-shell nanoparticles for two different fields of research that is heterogeneous catalysis and water purification. The iron-based core shell materials were characterized by transmission electron microscopy, as well as N2-physisorption, X-ray diffraction, and vibrating-sample magnetometer measurements in order to correlate their properties with the performance in the target applications. Investigations of these materials in CO2 hydrogenation and water purification show their versatility and applicability in different fields of research and application, after suitable individual functionalization of the core-shell precursor. For design and application of magnetically separable particles, the SiO2 shell is surface-functionalized with an ionic liquid in order to bind water pollutants selectively. The core requires no functionalization, as it provides suitable magnetic properties in the as-made state. For catalytic application in synthesis gas reactions, the SiO2-stabilized core nanoparticles are reductively functionalized to provide the catalytically active metallic iron sites. Therefore, Fe@SiO2 core-shell nanostructures are shown to provide platform materials for various fields of application, after a specific functionalization.


Micromachines ◽  
2021 ◽  
Vol 12 (4) ◽  
pp. 359
Author(s):  
Francesco Ruffino

Bimetallic nanoparticles show novel electronic, optical, catalytic or photocatalytic properties different from those of monometallic nanoparticles and arising from the combination of the properties related to the presence of two individual metals but also from the synergy between the two metals. In this regard, bimetallic nanoparticles find applications in several technological areas ranging from energy production and storage to sensing. Often, these applications are based on optical properties of the bimetallic nanoparticles, for example, in plasmonic solar cells or in surface-enhanced Raman spectroscopy-based sensors. Hence, in these applications, the specific interaction between the bimetallic nanoparticles and the electromagnetic radiation plays the dominant role: properties as localized surface plasmon resonances and light-scattering efficiency are determined by the structure and shape of the bimetallic nanoparticles. In particular, for example, concerning core-shell bimetallic nanoparticles, the optical properties are strongly affected by the core/shell sizes ratio. On the basis of these considerations, in the present work, the Mie theory is used to analyze the light-scattering properties of bimetallic core–shell spherical nanoparticles (Au/Ag, AuPd, AuPt, CuAg, PdPt). By changing the core and shell sizes, calculations of the intensity of scattered light from these nanoparticles are reported in polar diagrams, and a comparison between the resulting scattering efficiencies is carried out so as to set a general framework useful to design light-scattering-based devices for desired applications.


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