RSC Advances  

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Physical articles published in the last 6 months

318 items - Showing page 1 of 13
Open Access Paper

Tribological behaviors of an attapulgite–graphene nanocomposite as an additive for mineral lubricating oil

In this work, an attapulgite–graphene nanocomposite was prepared and its tribological properties as an additive for 200SN mineral lubricating oil were investigated.

Graphical abstract: Tribological behaviors of an attapulgite–graphene nanocomposite as an additive for mineral lubricating oil
Open Access Paper

Highly sensitive sensing of CO and HF gases by monolayer CuCl

Using a first-principles approach, the adsorption characteristics of CO and HF on a CuCl monolayer are studied with Grimme-scheme DFT-D2 for accurate description of the long-range (van der Waals) interactions.

Graphical abstract: Highly sensitive sensing of CO and HF gases by monolayer CuCl
Open Access Paper

Axial heteroatom (P, S and Cl)-decorated Fe single-atom catalyst for the oxygen reduction reaction: a DFT study

Overpotential and ΔG(*OH) have a volcanic relationship, the catalytic process is hindered by too strong or too weak interaction between catalyst and adsorbate. ORR is constrained in strong binding region by the reduction of *OH to H2O.

Graphical abstract: Axial heteroatom (P, S and Cl)-decorated Fe single-atom catalyst for the oxygen reduction reaction: a DFT study
Open Access Paper

An environmentally sustainable approach for the utilization of Erigeron bonariensis as a green inhibitor against weathering steel corrosion in acidic media

In the realm of corrosion mitigation, the search for sustainable and ecologically accountable inhibitors attracts significant interest from the environmental point of view.

Graphical abstract: An environmentally sustainable approach for the utilization of Erigeron bonariensis as a green inhibitor against weathering steel corrosion in acidic media
Open Access Paper

Adsorption effects of acetone and acetonitrile on defected penta-PdSe2 nanoribbons: a DFT study

Optimal geometries of the acetone and acetonitrile adsorptions on the ZZ7 p-PdSe2 nanoribbons (ZZ7) with double Se vacancies (V2Se).

Graphical abstract: Adsorption effects of acetone and acetonitrile on defected penta-PdSe2 nanoribbons: a DFT study
Open Access Paper

Gd2O3-modulated borate glass for the enhancement of near-infrared emission via energy transfer from Gd3+ to Nd3+

(Li2O)0.20(SrO)0.30(Nd2O3)0.01(B2O3)0.49−x(Gd2O3)x, where x = 0, 3, 5, 7, and 10 mol%, glass was melt-quenched to test it as a laser source in the near-infrared (NIR) region.

Graphical abstract: Gd2O3-modulated borate glass for the enhancement of near-infrared emission via energy transfer from Gd3+ to Nd3+
Open Access Review Article

Review of recent progress in the development of electrolytes for Cd/Pb-based quantum dot-sensitized solar cells: performance and stability

QDSSCs owing the ability to generate multiple electron–hole pairs per photon, high stability under light and moisture exposure, and flexibility in size and composition tuning.

Graphical abstract: Review of recent progress in the development of electrolytes for Cd/Pb-based quantum dot-sensitized solar cells: performance and stability
Open Access Paper

A first-principles prediction of the structural, electronic, transport and photocatalytic properties of GaGeX3 (X = S, Se, Te) monolayers

The GaGeSe3 monolayer: a promising 2D material for photocatalysts and electronics with high solar-to-hydrogen conversion efficiency and electron mobility.

Graphical abstract: A first-principles prediction of the structural, electronic, transport and photocatalytic properties of GaGeX3 (X = S, Se, Te) monolayers
Open Access Review Article

Graphene quantum dots for biosensing and bioimaging

This review covers recent advancements in the synthesis of graphene quantum dots (GQDs) and their properties. It highlights GQDs' applications in bioimaging for tumor visualization and MRI, as well as in various biosensing technologies.

Graphical abstract: Graphene quantum dots for biosensing and bioimaging
Open Access Paper

Influence of benzothiophene acceptor moieties on the non-linear optical properties of pyreno-based chromophores: first-principles DFT framework

Herein, a series of heterocyclic organic compounds (PYFD1–PYFD7) are designed with different acceptor moieties at the terminal position of a reference compound (PYFR) for nonlinear optical (NLO) active materials.

Graphical abstract: Influence of benzothiophene acceptor moieties on the non-linear optical properties of pyreno-based chromophores: first-principles DFT framework
Open Access Paper

Synergistic magnetoelectric enhancement in 0–3 particulate multiferroic composites: unveiling the exceptional interplay of Ba0.85Sm0.15TiO3 and Co0.85Sm0.15Fe2O4 phases for superior energy conversion

This study investigates the complex investigation of the 0–3 particulate multiferroic properties found in composite materials.

Graphical abstract: Synergistic magnetoelectric enhancement in 0–3 particulate multiferroic composites: unveiling the exceptional interplay of Ba0.85Sm0.15TiO3 and Co0.85Sm0.15Fe2O4 phases for superior energy conversion
Open Access Paper

Effects of crack–γ/γ′ interface relative distributions on the deformation and crack growth behaviors of a nickel-based superalloy

As the distance between two cracks increased, both tensile strength and plasticity decreased, while the crack growth rate significantly increased.

Graphical abstract: Effects of crack–γ/γ′ interface relative distributions on the deformation and crack growth behaviors of a nickel-based superalloy
Open Access Paper

Rational design and investigation of nonlinear optical response properties of pyrrolopyrrole aza-BODIPY-based novel push–pull chromophores

Intramolecular charge transfer plays crucial role in shaping linear and nonlinear optical response properties of novel pyrrolopyrrole aza-BODIPY-based push–pull chromophores.

Graphical abstract: Rational design and investigation of nonlinear optical response properties of pyrrolopyrrole aza-BODIPY-based novel push–pull chromophores
Open Access Review Article

Band gap tuning of perovskite solar cells for enhancing the efficiency and stability: issues and prospects

State-of-the-art processes for the band gap tuning of perovskite solar cells for enhancing their efficiency and stability.

Graphical abstract: Band gap tuning of perovskite solar cells for enhancing the efficiency and stability: issues and prospects
Open Access Paper

Testing the hypothesis that solvent exchange limits the rates of calcite growth and dissolution

Using neutron scattering dynamics measurements to validate molecular dynamic simulations, it is found that the rates of solvent exchange are not likely to limit the rates of calcite crystal growth and dissolution.

Graphical abstract: Testing the hypothesis that solvent exchange limits the rates of calcite growth and dissolution
Open Access Paper

Synthesis, microstructural and optical characterizations of sol-gel grown gadolinium doped cerium oxide ceramics

In this study, through the utilization of the sol–gel combustion tactic, gadolinium (Gd)-doped cerium oxide (CeO2), Ce1−xGdxO2 (x = 0.00, 0.10, 0.20 and 0.30 (GDC)) ceramics were attained.

Graphical abstract: Synthesis, microstructural and optical characterizations of sol-gel grown gadolinium doped cerium oxide ceramics
Open Access Paper

Hydrothermal synthesis of Mg/Al-layered double hydroxide modified water hyacinth hydrochar for remediation of wastewater containing mordant brown dye

A high-performance dye adsorbent of Mg/Al-layered double hydroxide modified water hyacinth hydrochar (MgAl@WH) was synthesized by a simple hydrothermal method.

Graphical abstract: Hydrothermal synthesis of Mg/Al-layered double hydroxide modified water hyacinth hydrochar for remediation of wastewater containing mordant brown dye
Open Access Paper

Preparation and characterization of polydopamine and n-butyl methacrylate copolymer coatings on titanium–nickel alloy stents

PBMA-b-PVP copolymer can improve the adhesion of PBMA homopolymer to TiNi alloys. The PDA coating enhances the corrosion resistance of TiNi alloys. The composite coating demonstrates excellent biocompatibility.

Graphical abstract: Preparation and characterization of polydopamine and n-butyl methacrylate copolymer coatings on titanium–nickel alloy stents
Open Access Paper

Microstructure and physical properties of black-aluminum antireflective films

The microstructure and physical properties of reflective and black aluminum were compared for layers of different thicknesses deposited by magnetron sputtering on fused silica substrates.

Graphical abstract: Microstructure and physical properties of black-aluminum antireflective films
Open Access Paper

Enhancing Li+ recovery in brine mining: integrating next-gen emotional AI and explainable ML to predict adsorption energy in crown ether-based hierarchical nanomaterials

Artificial intelligence (AI) is being employed in brine mining to enhance the extraction of lithium, vital for the manufacturing of lithium-ion batteries, through improved recovery efficiencies and the reduction of energy consumption.

Graphical abstract: Enhancing Li+ recovery in brine mining: integrating next-gen emotional AI and explainable ML to predict adsorption energy in crown ether-based hierarchical nanomaterials
Open Access Paper

Silver nanoparticles alter the dimerization of Aβ42 studied by REMD simulations

The dimerization of the Aβ42 peptide is inhibited by the silver nanoparticle.

Graphical abstract: Silver nanoparticles alter the dimerization of Aβ42 studied by REMD simulations
Open Access Paper

Application of static integrated skeletal reduction and tabulation of dynamic adaptive chemistry in the combustion simulation of ethylene-fueled scramjet combustor

A compact and high-fidelity ethylene reduced mechanism is obtained by the integrated reduction, it presents good performance in scramjet simulation.

Graphical abstract: Application of static integrated skeletal reduction and tabulation of dynamic adaptive chemistry in the combustion simulation of ethylene-fueled scramjet combustor
Open Access Paper

Synthesis, characterization, crystal structure, and fabrication of photosensitive Schottky device of a binuclear Cu(II)-Salen complex: a DFT investigations

This work explores one centrosymmetric binuclear Cu(II)-Salen complex synthesis, characterization, photosensitive Schottky barrier diode (PSBD) function, and DFT spectrum.

Graphical abstract: Synthesis, characterization, crystal structure, and fabrication of photosensitive Schottky device of a binuclear Cu(ii)-Salen complex: a DFT investigations
Open Access Paper

Improving photoluminescence properties and reducing recombination of CsPbBr3 perovskite through lithium doping

Lithium doping improves CsPbBr3 perovskites films by enhancing optical properties and reducing non-radiative recombination for enhanced stability and performance of perovskite thin films based optoelectronic devices.

Graphical abstract: Improving photoluminescence properties and reducing recombination of CsPbBr3 perovskite through lithium doping
Open Access Paper

Alchemical approach performance in calculating the ligand-binding free energy

FEP calculation performance depends on the considered targets.

Graphical abstract: Alchemical approach performance in calculating the ligand-binding free energy
318 items - Showing page 1 of 13

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