First-principles simulations on suspended coinage-metal nanotubes composed of different atomic species

Fa, Wei; Zhou, Jian; Dong, Jianji

doi:10.1039/c3cp44169e

Cited by 6 publications

(5 citation statements)

References 36 publications

(51 reference statements)

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“…According to XRD and XPS results, combining the apparent difference in structural and chemical stability, we speculate that Ag atoms entered the lattice of ordered Au atoms to form Au–Ag solid solution alloys crystalline structures in AuAg600 and AuAg696. This speculation is supported by the binding energies of Ag–Au and Au–Au, which shows similar trends with changes in atomic distance . In AuAg600 and AuAg696, Ag has high chemical stability and is not degradable.…”

Section: Resultsmentioning

confidence: 66%

“…This speculation is supported by the binding energies of Ag−Au and Au−Au, which shows similar trends with changes in atomic distance. 35 In AuAg600 and AuAg696, Ag has high chemical stability and is not degradable. However, for AuAg813, Ag is unstable; we attribute this to the formation of Au and Ag nanocluster aggregates, rather than solid solution alloys throughout a given NP.…”

Section: Acs Applied Materials and Interfacesmentioning

confidence: 99%

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Alloyed Crystalline Au–Ag Hollow Nanostructures with High Chemical Stability and Catalytic Performance

Liu

Guo

et al. 2016

ACS Appl. Mater. Interfaces

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For bimetallic nanoparticles (NPs), the degree of alloying is beginning to be recognized as a significant factor affecting the NP properties. Here, we report an alloyed crystalline Au-Ag hollow nanostructure that exhibits a high catalytic performance, as well as structural and chemical stability. The Au-Ag alloyed hollow and porous nanoshell structures (HPNSs) with different morphologies and subnanoscale crystalline structures were synthesized by adjusting the size of the sacrificial Ag NPs via a galvanic replacement reaction. The catalytic activities of the nanomaterials were evaluated by the model reaction of the catalytic reduction of p-nitrophenol by NaBH4 to p-aminophenol. The experimental results show that the subnanoscale crystalline structure of the Au-Ag bimetallic HPNSs has much greater significance than the apparent morphology does in determining the catalytic ability of the nanostructures. The Au-Ag alloyed HPNSs with better surface crystalline alloying microstructures and open morphologies were found to exhibit much higher catalytic reaction rates and better cyclic usage efficiencies, probably because of the better dispersion of active Au atoms within these materials. These galvanic replacement-synthesized alloyed Au-Ag HPNSs, fabricated by a facile method that avoids Ag degradation, have potential applications in catalysis, nanomedicine (especially in drug/gene delivery and cancer theranostics), and biosensing.

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Section: Resultsmentioning

confidence: 66%

Section: Acs Applied Materials and Interfacesmentioning

confidence: 99%

Alloyed Crystalline Au–Ag Hollow Nanostructures with High Chemical Stability and Catalytic Performance

Liu

Guo

et al. 2016

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

show abstract

“…In addition, there are many studies about the prediction of nanowire, nanotube, and other nano-materials by simulation. [8][9][10][11][12] These new materials were not found or observed in any experiments, but they can be predicted and confirmed their existence by a variety of simulation methods and quantum chemistry calculations. Senger et al 8 constructed the gold nanotube of different types by first-principles calculations.…”

Section: Introductionmentioning

confidence: 69%

Electronic and structural properties of ultrathin tungsten nanowires and nanotubes by density functional theory calculation

Sun

Lin

et al. 2014

Journal of Applied Physics

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The simulated annealing basin-hopping method incorporating the penalty function was used to predict the lowest-energy structures for ultrathin tungsten nanowires and nanotubes of different sizes. These predicted structures indicate that tungsten one-dimensional structures at this small scale do not possess B.C.C. configuration as in bulk tungsten material. In order to analyze the relationship between multi-shell geometries and electronic transfer, the electronic and structural properties of tungsten wires and tubes including partial density of state and band structures which were determined and analyzed by quantum chemistry calculations. In addition, in order to understand the application feasibility of these nanowires and tubes on nano-devices such as field emitters or chemical catalysts, the electronic stability of these ultrathin tungsten nanowires was also investigated by density functional theory calculations. V C 2014 AIP Publishing LLC.

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“…It can be speculated that Au and Ag atoms are embedded in the crystalline lattices of each other. For alloyed nanoshell, the low average binding energy is favoured for its superior stability [42]. Compared with pure Ag nanostructures, the nanoalloy feature lower energy, since both Au-Au and Au-Ag bonds have lower binding energy than that of Ag-Ag bond.…”

Section: Resultsmentioning

confidence: 99%

Gold nanobipyramid enveloped in alloyed nanoshell for stable plasmonic sensors

Wang¹,

Kan²,

Xu³

et al. 2020

J. Phys. D: Appl. Phys.

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Compared to monometallic nanoparticles, alloyed and bimetallic nanostructures are of great interest for their high stability and improved physicochemical properties. In this work, an effective method has been developed to obtain core–shell nanorods, in which the core is uniform gold nanobipyramids (AuBPs) enveloped in AuxAg1-x alloyed nanoshell. The penta-twinned AuBP@AuxAg1-x nanorods with x ranging from 0 to 1 integrate the advantages of AuBPs core and AuAg alloy shell effectively. Specifically, they combine the superiority of Au and Ag, exhibiting excellent both thermal and chemical stability, high refractive index sensitivity, and stable surface-enhanced Raman scattering effect in harsh environment. Furthermore, the surface plasmon resonance of AuBP@AuxAg1-xNRs could be finely tailored in a large wavelength region with a narrow full width at half maximum by simply varying the alloy shell thickness and the AuBPs core size. These improved properties offer the obtained core–shell nanostructures novel and viable perspectives in severe environments. The simple and feasible synthetic strategy is also versatile to fabricate other noble metallic nanostructures enveloped in alloyed nanoshell.

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First-principles simulations on suspended coinage-metal nanotubes composed of different atomic species

Cited by 6 publications

References 36 publications

Alloyed Crystalline Au–Ag Hollow Nanostructures with High Chemical Stability and Catalytic Performance

Alloyed Crystalline Au–Ag Hollow Nanostructures with High Chemical Stability and Catalytic Performance

Electronic and structural properties of ultrathin tungsten nanowires and nanotubes by density functional theory calculation

Gold nanobipyramid enveloped in alloyed nanoshell for stable plasmonic sensors

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