RSC Advances
Physical articles published in the last
6 months
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.
RSC Adv., 2024,14, 16411-16420
https://doi.org/10.1039/D4RA01218F
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.
RSC Adv., 2024,14, 16284-16292
https://doi.org/10.1039/D4RA01519C
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.
RSC Adv., 2024,14, 16379-16388
https://doi.org/10.1039/D4RA01754D
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.
RSC Adv., 2024,14, 16432-16444
https://doi.org/10.1039/D4RA01534G
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).
RSC Adv., 2024,14, 16445-16458
https://doi.org/10.1039/D4RA02368D
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.
RSC Adv., 2024,14, 16501-16509
https://doi.org/10.1039/D4RA01682C
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.
RSC Adv., 2024,14, 16255-16268
https://doi.org/10.1039/D4RA01030B
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.
RSC Adv., 2024,14, 15979-15986
https://doi.org/10.1039/D4RA00949E
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.
RSC Adv., 2024,14, 16001-16023
https://doi.org/10.1039/D4RA01431F
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.
RSC Adv., 2024,14, 15964-15978
https://doi.org/10.1039/D4RA00903G
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.
RSC Adv., 2024,14, 15915-15928
https://doi.org/10.1039/D4RA01360C
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.
RSC Adv., 2024,14, 15953-15963
https://doi.org/10.1039/D4RA02723J
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.
RSC Adv., 2024,14, 15560-15570
https://doi.org/10.1039/D4RA02861A
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.
RSC Adv., 2024,14, 15876-15906
https://doi.org/10.1039/D4RA01640H
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.
RSC Adv., 2024,14, 15743-15754
https://doi.org/10.1039/D4RA00565A
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.
RSC Adv., 2024,14, 15455-15467
https://doi.org/10.1039/D4RA01902D
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.
RSC Adv., 2024,14, 15281-15292
https://doi.org/10.1039/D4RA02624A
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.
RSC Adv., 2024,14, 15240-15248
https://doi.org/10.1039/D4RA01491J
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.
RSC Adv., 2024,14, 15220-15231
https://doi.org/10.1039/D4RA00396A
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.
RSC Adv., 2024,14, 15129-15142
https://doi.org/10.1039/D4RA02385D
Silver nanoparticles alter the dimerization of Aβ42 studied by REMD simulations
The dimerization of the Aβ42 peptide is inhibited by the silver nanoparticle.
RSC Adv., 2024,14, 15112-15119
https://doi.org/10.1039/D4RA02197E
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.
RSC Adv., 2024,14, 15058-15070
https://doi.org/10.1039/D4RA00749B
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.
RSC Adv., 2024,14, 14992-15007
https://doi.org/10.1039/D4RA01846J
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.
RSC Adv., 2024,14, 15048-15057
https://doi.org/10.1039/D4RA01548G
Alchemical approach performance in calculating the ligand-binding free energy
FEP calculation performance depends on the considered targets.
RSC Adv., 2024,14, 14875-14885
https://doi.org/10.1039/D4RA00692E
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