Density functional theory (DFT) computations of the electronic structures of undoped, B- and N-doped CNT(3,3), CNT(5,5) carbon nanotubes, and graphene with adsorbed chromate anions CrO42- were performed within molecular cluster approach. Relaxed geometries, binding energies, charge differences of the adsorbed CrO42- anions, and electronic wave function contour plots were calculated using B3LYP ...

A new POM-based hybrid, [δ-H4PMoVMoVI11O40](L)5·5H2O (L = 4-methylpyridine-4-yl-1,8-naphthalene dicarboxylamide), was synthesized under hydrothermal conditions and characterized by IR spectroscopy, powder X-ray diffraction, photoelectron spectroscopy. This hybrid can acts as multifunctional fluorescent sensor to detect metal cation (Fe3+), anions (Cr2O72– CrO42–), antibiotics (NFT nitrofurantoi...

The structure of the title hybrid compound, (C6H16N2)[CrO4], has been determined from synchrotron data. The organic cation adopts a chair conformation. The inorganic CrO42- anion is slightly distorted owing to its involvement in N-H⋯O hydrogen-bonding inter-actions with neighbouring trans-cyclo-hexane-1,2-di-ammonium cations, whereby the two Cr-O bonds to the O atoms acting as acceptor atoms fo...

unmodified zeolites show little affinity for anions due to the fact that their surfaces are negatively charged. however modification of zeolites with amines turns their negative surface charge to positive and creating higher adsorption capacity for anions. in this study, polyaniline-clinoptilolite composite was prepared by polymerization of anilinium on the surface of zeolite. the composite was...

Waste building sludge (WBS) originating in the production of concrete prestressed poles (CSW) and technical stone (TSW) used original Fe-modified forms (CSWFe, TSWFe) was tested as an environmentally friendly cheap sorbent selected cations (Cd2+, Pb2+, Cs+) anions (AsO43?, PO43?, CrO42?) from water. The experiments were performed with 0.1 0.5 mmol·L?1 model solutions a batch manner at laborator...

A six-coordinated 3D metal–organic framework (MOF), namely, [Co(BPDC)(3-bpdb)(H2O)2]n (1) (H2BPDC = 4,4?-biphenyldicarboxylic acid, 3-bpdb 1,4-bis(3-pyridyl)-2,3-diaza-1,3-butadiene) was purposefully constructed and characterized by single-crystal XRD, IR, elemental analyses, PXRD, SEM, TGA. Crystal structural analysis revealed that the complex consists of a cds-type three-fold interpenetrated ...

The solidification of heavy metal Cr has always been a challenge in the treatment Cr-containing wastes, due to its high mobility alkaline environments. In addition, mechanism not fully investigated. this study, blast furnace slag (BFS)-based cementitious materials were used as binders for immobilization investigate different hydration products. From XRD, FTIR, XPS, and XANES analyses, it could ...