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Chemical binding

About: Chemical binding is a research topic. Over the lifetime, 1822 publications have been published within this topic receiving 52516 citations.


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TL;DR: In this article, the authors used a generalized tight-binding Slater-Koster fit to the band structure calculated from first principles for the host combined with one extra s orbital for each isolated impurity atom to estimate the heats of formation of hydrogen atoms at octahedral and tetrahedral interstitial sites in f.c.
Abstract: The heats of formation of hydrogen atoms at octahedral and tetrahedral interstitial sites in f.c.c. transition metals (palladium and nickel) were estimated using a generalized tight-binding Slater-Koster fit to the band structure calculated from first principles for the host combined with one extra s orbital for each isolated impurity atom. The chemical binding energies of nearest-neighbouring and next-nearest-neighbouring pairs of hydrogen atoms in α-Pd hydride were found to be repulsive. We also calculated chemical binding energies between d element substitutional impurities in palladium (such that δZ ⩽ −1) and hydrogen atoms as the first and the second neighbours. These theoretical studies are compared with existing experimental results.

17 citations

Journal ArticleDOI
TL;DR: In this paper, the evolution of morphology change was investigated for ZnO nanoneedle array grown by low-temperature MOCVD, and the alignment of the array on the buffer-film/Si substrate at temperatures below 500°C was investigated.
Abstract: Evolution of morphology change was investigated for ZnO nanoneedle array grown by low-temperature MOCVD. Well-aligned ZnO nanoneedle array was deposited on the ZnO buffer-film/Si substrate at temperatures below 500°C. A rod-shaped ZnO nanowire in the initial growth stage changed into needle-shaped as the deposition proceeds. ZnO nanoneedle array deposited on the annealed buffer-film showed better alignment compared to that deposited on the as-grown film. XPS analysis showed that Zn 2p peak has a single binding energy state of a stoichiometric Zn–O bond while O 1 s peak has three different chemical binding states. Highly crystalline ZnO nanoneedle array showed a strong bandedge emission at 380 nm in photoluminescence measurements.

17 citations

Journal ArticleDOI
TL;DR: It was hypothesized and experimentally demonstrated that larger NPs would exhibit less diffusion below tissue surfaces, enabling higher targeted‐to‐untargeted NP ratios, and enabled the design of NP agents with improved sensitivity and contrast for rapid molecular imaging of fresh tissues.
Abstract: Previous studies have shown that functionalized nanoparticles (NPs) topically applied on fresh tissues are able to rapidly target cell-surface protein biomarkers of cancer. Furthermore, studies have shown that a paired-agent approach, in which an untargeted NP is co-administered with a panel of targeted NPs, controls for the nonspecific behavior of the NPs, enabling quantitative imaging of biomarker expression. However, given the complexities in nonspecific accumulation, diffusion, and chemical binding of targeted NPs in tissues, studies are needed to better understand these processes at the microscopic scale. Here, fresh tissues were stained with a paired-agent approach, frozen, and sectioned to image the depth-dependent accumulation of targeted and untargeted NPs. The ratio of targeted-to-untargeted NP concentrations-a parameter used to distinguish between tumor and benign tissues-was found to diminish with increasing NP diffusion depths due to nonspecific accumulation and poor washout. It was then hypothesized and experimentally demonstrated that larger NPs would exhibit less diffusion below tissue surfaces, enabling higher targeted-to-untargeted NP ratios. In summary, these methods and investigations have enabled the design of NP agents with improved sensitivity and contrast for rapid molecular imaging of fresh tissues.

17 citations

Journal ArticleDOI
TL;DR: In this article, the metallization of PNA with platinum (Pt) nanoparticles via chemical binding, reduction, and deposition is reported, where Pt ions from a precursor salt solution are allowed to bind over the PNA fragments followed by a reduction and then growth into metal nanoparticles.
Abstract: Peptide nucleic acid (PNA) is an analogue of deoxyribonucleic acid (DNA) and possesses a neutral backbone that affords stronger hybridization, greater stability and higher specificity in base pairing. However, it has not been explored as much as DNA in self-assembling functional nanostructures or nanoelectronic devices. We report here for the first time the metallization of PNA with platinum (Pt) nanoparticles via chemical binding, reduction and deposition. Pt ions from a precursor salt solution are allowed to bind over the PNA fragments followed by a reduction and then growth into metal nanoparticles. PNA–Pt complexes form chains several hundred nanometres in length and by varying the duration of chemical reduction step, the dimension of the Pt nanoparticles can be controlled. The structural features and chemical composition of PNA–Pt nanoparticles have been characterized via scanning electron microscopy, transmission electron microscopy and Fourier transform-infrared spectroscopy. These results are also supported by modelling and analysis of the nature of high-lying molecular orbitals on PNA using density functional theory (DFT) method.

17 citations

Journal ArticleDOI
TL;DR: In this article, a multifunctional composite structure consisting of resorbable tricalcium phosphate with non-resorbable hydroxyapatite and NiTi shape memory alloy (SMA) has been manufactured to develop a biocompatible system for long-term implant applications.

17 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
20223
202178
202076
201989
201866
201769