Publications

CCDC 841256: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Magnetic and Thermal Hysteresis in Monolayer Anthracene-Type Nanostructures

A monolayer anthracene-like nanostructure was investigated through Monte Carlo simulations to determine its compensation temperature and magnetic hysteresis cycle. Also, the effects of exchange coupling on compensation and transition temperatures were discussed. Additionally, the magnetic hysteresis cycles and magnetic coercive field as well as the surface of multi-loop hysteresis were studied with respect to strong exchange coupling and temperature parameters. This study discusses the behavior of multi-loop hysteresis in multi-state memories and nanotechnology.

Xanthine sensor development based on ZnO–CNT, ZnO–CB, ZnO–GO and ZnO nanoparticles: an electrochemical approach

The wet-chemical method was used to prepare the various ZnO–CNT, ZnO–CB, ZnO–GO nanocomposites, and ZnO nanoparticles in higher pH medium, which were finally utilized with 5% nafion to produce a thin film of NCs/Nafion/GCE sensor that has a faster response towards selected xanthine with higher sensitivity, lower detection limit, and large linear dynamic range by electrochemical approach.

CCDC 788423: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Sulfur-doped graphene for efficient electrocatalytic N₂-to-NH₃ fixation

Industrial NH3 synthesis mainly relies on the carbon-emitting Haber-Bosch process operating under severe conditions. Electrocatalytic N2-to-NH3 fixation under ambient conditions is an attractive approach to reduce energy consumption and avoid direct carbon emission. In this communication, sulfur-doped graphene (S-G) is proposed as an efficient and stable electrocatalyst to drive the nitrogen reduction reaction (NRR) under ambient conditions. In 0.1 M HCl, this S-G attains a remarkably large NH3 yield of 27.3 μg h-1 mgcat.-1 and a high Faradaic efficiency of 11.5% at -0.6 and -0.5 V vs. a reversible hydrogen electrode, respectively, much higher than those of undoped G (6.25 μg h-1 mgcat.-1; 0.52%). Density functional theory calculations reveal that carbon atoms close to substituted sulfur atoms are the underlying catalytic active sites for the NRR on S-G, and the related NRR mechanism is also explored.

4-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide

The two aromatic rings of the title compound, C(11)H(13)N(3)O(2)S, are inclined at an angle of 47.81 (4)°. The N atom of the amino unit is pyramidally coordinated; one H atom inter-acts with the sulfamyl O atom of an adjacent mol-ecule, forming a centrosymmetric hydrogen-bonded dimer. The dimers are linked by N-H⋯N hydrogen bonds, generating a three-dimensional network.

Asymmetrically Substituted 10<i>H</i>,10′<i>H</i>‐9,9′‐Spirobi[acridine] Derivatives as Hole‐Transporting Materials for Perovskite Solar Cells

Hole-transporting materials (HTMs) based on the 10H, 10'H-9,9'-spirobi [acridine] core (BSA50 and BSA51) were synthesized, and their electronic properties were explored. Experimental and theoretical studies show that the presence of rigid 3,6-dimethoxy-9H-carbazole moieties in BSA 50 brings about improved hole mobility and higher work function compared to bis(4-methoxyphenyl)amine units in BSA51, which increase interfacial hole transportation from perovskite to HTM. As a result, perovskite solar cells (PSCs) based on BSA50 boost power conversion efficiency (PCE) to 22.65 %, and a PSC module using BSA50 HTM exhibits a PCE of 21.35 % (6.5×7 cm) with a V_oc of 8.761 V and FF of 79.1 %. The unencapsulated PSCs exhibit superior stability to devices employing spiro-OMeTAD, retaining nearly 90 % of their initial efficiency after 1000 h operation output. This work demonstrates the high potential of molecularly engineered spirobi[acridine] derivatives as HTMs as replacements for spiro-OMeTAD.

One-pot synthesis of Ag nanoparticles/reduced graphene oxide nanocomposites and their application for nonenzymatic H2O2 detection

Optical properties and fluorescence quenching of carbazole containing (D–π–A) push–pull chromophores by silver nanoparticles: a detailed insight via an experimental and theoretical approach

(4<italic>Z</italic>)-4-[(9-Ethyl-9<italic>H</italic>-carbazol-3-yl)methylidene]-2-phenyl-1,3-oxazol-5(4<italic>H</italic>)-one (ECPO) was prepared by the one-pot multi-component reaction of 9-ethyl-9<italic>H</italic>-carbazole-3-carbaldehyde, hippuric acid, anhydrous sodium acetate and acetic anhydride under microwave irradiation.

Nanotechnology-Based Industrial Applications of Ionic Liquids

Interaction between toxic azo dye C.I. Acid Red 88 and serum albumins

1-(Benzotriazol-1-yl)-2-bromoethanone

In the title compound C(8)H(6)BrN(3)O, the benzotriazole ring is essentially planar (r.m.s. deviation = 0.0034 Å) and the bromo-acetyl unit is twisted at a dihedral angle of 15.24 (16)° with respect to it. In the crystal, pairs of C-H⋯O hydrogen bondings result in the formation of inversion dimers, forming R(2) (2)(12) rings, which are connected by further C-H⋯O inter-actions into chains extending along the b-axis direction.

Facile Selective Phenolic Sensor Fabrication Based on Cuo@Nd2o3 Nanocomposites

Effects of ionic liquid on micellar aggregate formed by pluronic (F-127) and non-ionic surfactant (TX-100) in aqueous solution

Preparation and characterization of PES-cobalt nanocomposite membranes with enhanced anti-fouling properties and performances

Silver oxide doped iron oxide/alginate nanocomposite coated cotton cloth for selective catalytic reduction of potassium ferricyanide

Hierarchical CuO@ZnCo LDH heterostructured nanowire arrays toward enhanced water oxidation electrocatalysis

As a durable electrocatalyst for water oxidation, a hierarchical heterostructured CuO@ZnCo layered double hydroxide nanowire array on a copper foil requires a low overpotential of 270 mV to attain 10 mA cm⁻² in 1.0 M KOH.