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61.
Abhijit Dutta Amit Kumar Pradhan Fei Qi Paritosh Mondal 《Monatshefte für Chemie / Chemical Monthly》2020,151(2):159-171
Quantum chemical study has been performed on finite-sized bi-metallic Rh3M alloys, M = Ag, Ir, Pd, Pt, Au, derived from magic cluster, Rh4. Bond length of C–O and N–O are noticed to be elongated in the presence of rhodium alloy clusters. CO2 and NO2 gases are found to be highly adsorbed on Rh3M clusters, which is confirmed by stretching frequency of C–O and N–O. DFT evaluated dipole moment and electronic charge redistribution suggests the sensing capability of CO2 and NO2 gases by Rh3M clusters which is further confirmed by the calculated HOMO–LUMO gap. Mixed rhodium alloy clusters supported on single-wall carbon nanotube (SWCNT) exhibits much higher ability to sense CO2 and NO2. On the other hand, SWCNT@Rh3M shows higher catalytic activity for the activation of CO2 and NO2 in comparison to bare Rh3M because of the higher electronic charge redistribution in the case of SWCNT@Rh3M. In case of SWCNT-supported gas adsorbed clusters, p electrons play a major role in bonding. 相似文献
62.
Soumen Dutta Nitee Kumari Sateesh Dubbu Sun Woo Jang Amit Kumar Hiroyoshi Ohtsu Junghoon Kim Seung Hwan Cho Masaki Kawano In Su Lee 《Angewandte Chemie (International ed. in English)》2020,59(9):3416-3422
Rational engineering and assimilation of diverse chemo‐ and biocatalytic functionalities in a single nanostructure is highly desired for efficient multistep chemical reactions but has so far remained elusive. Here, we design and synthesize multimodal catalytic nanoreactors (MCNRs) based on a mesoporous metal‐organic framework (MOF). The MCNRs consist of customizable metal nanocrystals and stably anchored enzymes in the mesopores, as well as coordinatively unsaturated cationic metal MOF nodes, all within a single nanoreactor space. The highly intimate and diverse catalytic mesoporous microenvironments and facile accessibility to the active site in the MCNR enables the cooperative and synergistic participation from different chemo‐ and biocatalytic components. This was shown by one‐pot multistep cascade reactions involving a heterogeneous catalytic nitroaldol reaction followed by a [Pd/lipase]‐catalyzed chemoenzymatic dynamic kinetic resolution to yield optically pure (>99 % ee) nitroalcohol derivatives in quantitative yields. 相似文献
63.
The 2D Ising model is well-formulated to address problems in adsorption thermodynamics. It is particularly well-suited to describing the adsorption isotherms predicting the surface enantiomeric excess, , observed during competitive co-adsorption of enantiomers onto achiral surfaces. Herein, we make the direct one-to-one correspondence between the 2D Ising model Hamiltonian and the Hamiltonian used to describe competitive enantiomer adsorption on achiral surfaces. We then demonstrate that adsorption from racemic mixtures of enantiomers and adsorption of prochiral molecules are directly analogous to the Ising model with no applied magnetic field, i.e., the enantiomeric excess on chiral surfaces can be predicted using Onsager’s solution to the 2D Ising model. The implication is that enantiomeric purity on the surface can be achieved during equilibrium exposure of prochiral compounds or racemic mixtures of enantiomers to achiral surfaces. 相似文献
64.
65.
Lead zirconate titanate thick film with molecular formula PbZr0.52Ti0.42O3 (PZT) was prepared by a modified conventional sol–gel method through seeding and high-energy ball milling, resulting in perovskite phase formation at lower temperatures. The ball-milling time was optimized by keeping the seed particle loading (5 wt.%) constant in the sol–gel solution. This methodology helped in reduction of the crystalline phase formation temperature to 300°C, which is much lower than that reported in the literature (450°C). The well-established perovskite phase was confirmed by x-ray diffraction (XRD) analysis. Scanning electron microscopy (SEM) of PZT films revealed uniform and crystalline microstructure. Film prepared by this methodology showed higher spontaneous polarization (2.22 μC/cm2), higher capacitance (1.17 nF), and low leakage current density (18 μA/cm2). The results obtained from ferroelectric characterization showed a strong correlation with the XRD and SEM results. 相似文献
66.
67.
V.K. Sharma S. Mitra P. Maheshwari D. Dutta P.K. Pujari R. Mukhopadhyay 《The European physical journal. Special topics》2010,189(1):273-277
Dynamics of ethylene glycol (EG) adsorbed in H-ZSM5 zeolite as studied using quasielastic neutron scattering (QENS) technique
is reported here. Analysis of QENS data revealed that observed dynamics correspond to isotropic rotational motion of EG. Rotational
diffusion coefficient of EG adsorbed in H-ZSM5 zeolite is found to be slower compared to bulk and comparable to that of benzene
adsorbed in the same host. Positron Annihilation Spectroscopy (PAS) technique is used to understand the nature of guest-host
interaction and the results of both QENS and PAS are found to be consistent with each other. 相似文献
68.
Teruhiko Soma 《Geometriae Dedicata》2002,90(1):183-200
Let : be a pseudo-Anosov homeomorphism. We will study an asymptotic behaviour of the volume of closed hyperbolic 3-manifolds N
n
obtained from certain 3-manifolds M, M by attaching their boundaries by the n-th iteration
n
of . 相似文献
69.
This article illustrates the developments of effective preconcentration techniques and highly sensitive detection methods for accurate measurements of Tl species at extremely low concentration in aqueous solutions. The literature on this topic was taken from the Analytical Abstracts in the period 1990-2005. 相似文献
70.
The surface chemical compositions of solid samples from environmental sources can differ from bulk or average compositions. The processes of adsorption, desorption, precipitation, dissolution, reaction etc., change the surface composition thereby affecting the surface chemistry. Accordingly, surface analytical information is important for the understanding of environmental chemistry involving solid surfaces. Analysis of environmental solid samples with their complex composition is a challenge to rapidly developing surface analytical techniques. 相似文献