Two-dimensional (2D) sheets are currently in the spotlight of nanotechnology owing to high-performance device fabrication possibilities. Building a free-standing quantum sheet with controlled morphology is challenging when large planar geometry and ultranarrow thickness simultaneously concerned. Coalescence nanowires into single-crystalline promising approach leading large, molecularly thick 2D morphology. Here we report on bottom-up fabricate high-quality ultrathin single crystalline...

The severely intractable polymer poly(3,4-ethylenediethoxythiophene) (PEDOT) is brought to stable aqueous solution after in situ combination with polystyrene sulfonic acid (PSS). This (PEDOT–PSS) and successfully combines the optical electrical properties of PEDOT water solubility PSS. paper explores physical PEDOT–PSS from morphological structural aspects electronic structure studies are employed understand interaction between two polymers. consists triangular/rectangular shaped...

Linear π-gelators self-assemble into entangled fibers in which the molecules are arranged perpendicular to fiber long axis. However, orientation of gelator a direction parallel axes one-dimensional (1-D) structures remains challenging. Herein we demonstrate that, at air-water interface, an oligo(p-phenylenevinylene)-derived π-gelator forms aligned nanorods 340 ± 120 nm length and 34 5 width, reoriented axis rods. The change results distinct excited-state properties upon local...

Photoluminescence of halide perovskite nanocrystals (NCs) quenches rapidly due to ambient instability, inherent trap states, and imperfect ligand–NC passivation. We report a novel synthetic strategy enhance the stability eliminate states CsPbBr3 NCs simultaneously by in situ introduction tripodal tertiary ammonium bromide ion pair ligand [tris(2-aminoethyl)ammonium (TREN·4HBr)]. Tetrabromide ions saturate PbBr6 octahedra anion vacancies, while TREN with three NH3+ branches enhances efficient...

All inorganic mixed-halide perovskite, CsPb(BrxI1–x)3 (0 ≤ x 1), nanocrystals possess tunable photoluminescence with high quantum yield in the visible window. However, degrades rapidly postsynthetic aging due to spontaneous ion separation and phase instability. Here we show that of nanocubes spontaneously forms highly uniform single-crystalline nanowires a diameter 9 ± 0.5 nm length up several micrometers. The bright an absolute 41%. Rietveld refinement identifies stable orthorhombic...

A series of palladium complexes tetradendate Schiff base ligands L1 ( N,N'-bis(salicylidene)phenylene-1,3-diamine) and its derivatives L2 L3 have been synthesized by using the "flexible ligand method" within supercage zeolite-Y. These in both their free encapsulated states thoroughly characterized with help different characterization tools such as XRD, SEM-EDS, BET, thermal analysis, XPS, IR, UV-vis spectroscopic studies. All these are identified a dramatic red shift d-d transition...

Developing a ‘greener’ avenue for organic synthesis is key challenge, which must focus on energy efficiency as well sustainability. Harnessing solar to chemical an efficient...

Luminescent materials possessing both the mechanoluminescence (MCL) and electroluminescence (EL) properties are quest for sensing optoelectronic applications. We report on synthesis of a new tailor-made luminogen, 1,2-bis(4-(1-([1,1′-biphenyl]-4-yl)-2,2-diphenylvinyl)phenyl)-1,2-diphenylethene (TPE 5), using Suzuki coupling reaction with high yield. An aggregation-induced emission (AIE) active complex TPE 5 forms supramolecular spherical aggregates at air–water interface Langmuir trough. As...

Hydrolysis of iron compounds in water leads to the formation Fe(III) oyxhydroxide-based minerals like ferrihydrite, which act as natural scavengers inorganic contaminants environment. Though studied widely, experimental identification these oxyhydroxides remains very difficult due their extreme reactivity. The present study theoretically investigates starting from a single hydrated ion, modeling larger clusters gradually. structures, enthalpies, and free energies dimers, trimers, tetramers,...

Electrochemical energy storage systems are critical in several ways for a smooth transition from nonrenewable to renewable sources. Zn-based batteries one of the promising alternatives existing state-of-the-art Li-ion battery technology, since pose significant drawbacks terms safety and cost-effectiveness. Zn (with reduction potential -0.76 V vs SHE) has significantly higher theoretical volumetric capacity (5851 mAh/cm3) than Li (2061 mAh/cm3), it is certainly far less expensive, safer, more...

It is observed that for a square planar Ni(II)-Schiff base complex of the general formula {Ni(II)L}, where L {L: N,N'-bis(5-hydroxy-salicylidene)ethylenediamine}, when encapsulated in supercage zeolite Y bulky guest adopts non-planar geometry without disturbing integrity framework. Detailed comparative characterization carried out to understand structural change as result steric and electronic interactions with host UV-Vis spectroscopic studies 'neat' show significant blue shift d-d...

Herein, we report on the unidirectional branched assembly of diphenylalanine dipeptide through a one-step rapid evaporation process. Large numbers crystalline tubular branches with smooth surfaces are developed from hexagonal solid microrod mimicking "Christmas tree". Density functional theory suggests formation aggregates cis isomers. The shows good optical waveguide properties that can transmit light homogeneously along crystal fibers as well harvest tips to terminals. These findings hold...

Aggregation‐induced emission (AIE) is commonly observed in irregular bulk form. Herein, unique aggregation properties of an AIE‐active complex into branched supramolecular wires are reported for the first time. Mono‐cyclometalated Ir(III) shows in‐plane J‐aggregation at air–water interface owing to restriction intramolecular vibration bidentate phenylpyridinato and rotations monodentate triphenylphosphine ligands interface. As a consequence, large enhancement luminescence comparable solid...

A new emissive Zn(ii)-based coordination polymer (Zn-CP) bearing paddle-wheel clusters has been developed and the same demonstrated to have potential for recognising a nitroaromatic-based explosive (TNP) pesticide (2,6-DCNA) in aqueous solution. The structural integrity of this newly 2D material was established through single-crystal analysis, whereas stability Zn-CP medium after recognition process investigated by powder-XRD technique. combination experimental theoretical studies revealed...

The highly anticipated artificial conversion of water to oxygen for the imperishable growth renewable energy requires efficient oxidation catalysts (WOCs) drive exciting 4e– transformation at low driving potentials. Herein, we describe freestanding thin film P5Q7 (TFPQ), where Preyssler [P5W30O110]14– (P5) clusters are woven with [CH3(CH2)6]4N(Br) chains (Q7) confine P5 and maximize its catalytic exposure. TFPQ-supported electrode shows OER record-low overpotentials 10 mAcm2 (η10 = 130 490...

Square planar Ni(ii)-Schiff base complexes when encapsulated in a supercage of zeolite Y have shown altered optical, magnetic properties and catalytic activities comparison to their corresponding free states. Different characterization techniques like XRD analysis, SEM-EDX, AAS, FTIR, UV-Visible spectroscopy studies as well detailed theoretical altogether show the differences All these suggested that largest complex deviates by maximum amount from its free-state fascinating correlation...

We report a theoretical study for the conformational switching of molecules on Au(111) surface in presence an applied electric field. Ab initio calculations N-(2-mercaptoethyl)benzamide indicate that this molecule, when adsorbed, can exist as two stable conformers nearly equal energies, but dipoles point reverse directions with respect to surface. An field be used "switch" one conformer other, and during process, there is abrupt change height molecule from This expected cause conductance...

This study models the formation of two important secondary arsenic minerals, scorodite and pharmacosiderite, from Fe(III) As(V) ions using density functional theory, exploring small representative molecular clusters respective minerals. The enthalpies free energies multinuclear representing minerals are calculated in gas phase water implicit solvent-based continuum model. results indicate that mineral hydrated is spontaneous negative when equimolar present. Formation closed ringlike As(III)...

Increasing exposure to arsenic (As) contaminated ground water is a great threat humanity. Suitable technology for As immobilization and removal from water, especially As(III) than As(V), not available yet. However, it known that more toxic As(V) most groundwater aquifers, particularly the Gangetic basin in India, alarmingly with it. In search of viable solution here, we took cue natural mineralization Tooeleite, mineral containing Fe(III) As(III)ions, grown under acidic condition, presence...

We report a theoretical study of molecular wires which are designed to detect single nucleic acid base thymine, through electrical conductance change. Three model sensors with ethynylphenyl backbones having suitable detection units and capable forming hydrogen bonds thymine proposed. A combination density functional theory nonequilibrium Green's function formalism were used for the studies. The results show that subtle changes in electronic properties due bond formation target may give rise...

We propose a model molecular wire sensor that can detect zerovalent chromium by strong increase in conductance when included metal−molecule−metal junction. An essential part of the is paracyclophane unit binds to metal atom. The nature and energies orbitals change drastically after complex formed, resulting 10- 12-fold conductance.

Planar cobalt(<sc>ii</sc>) Schiff-base complexes show modified structural and functional properties after encapsulation inside zeolite-Y.

This article describes a generally applicable supramolecular design for construction of ultrathin two-dimensional (2D) nanosheets with functionalized surface, by aqueous self-assembly core-substituted naphthalene diimide (cNDI)-derived π amphiphiles, and explores them as an antibacterial material. In cNDI-1 cNDI-2, the imide positions are substituted dodecane chains, while core substitution differs in nature amine group (primary quaternary, respectively). On other hand, cNDI-3 has identical...