نتایج جستجو برای: nano clusters
تعداد نتایج: 163262 فیلتر نتایج به سال:
When a large amount of water is deposited onto a bare h-BN/Rh(111) nanomesh, the formation of ordered and stable nano-ice crystals in the pores has been experimentally observed. The present work proposes different possible models for the structure of the observed clusters, based on density functional theory calculations of two-dimensional water lattices adsorbed on free-standing hexagonal BN. T...
Lanthanide nano-drums: a new class of molecular nanoparticles for potential biomedical applications.
We are developing a new class of lanthanide-based self-assembling molecular nanoparticles as potential reporter molecules for imaging, and as multi-functional nanoprobes or nanosensors in diagnostic systems. These lanthanide "nano-drums" are homogeneous 4d-4f clusters approximately 25 to 30 Å in diameter that can emit from the visible to near-infrared (NIR) wavelengths. Here, we present synthes...
We present a spectrum-splitting approach to conduct all-electron Kohn-Sham density functional theory (DFT) calculations by employing Fermi-operator expansion of the Kohn-Sham Hamiltonian. The proposed approach splits the subspace containing the occupied eigenspace into a core-subspace, spanned by the core eigenfunctions, and its complement, the valence-subspace, and thereby enables an efficient...
PIP(2) and PIP(3) are implicated in a wide variety of cellular signaling pathways at the plasma membrane. We have used STORM imaging to localize clusters of PIP(2) and PIP(3) to distinct nanoscale regions within the plasma membrane of PC12 cells. With anti-phospholipid antibodies directly conjugated with AlexaFluor 647, we found that PIP(2) clusters in membrane domains of 64.5±27.558 nm, while ...
طراحی و سنتز پلیمر های کئوردینانسیونی متخلخل یا چارچوب های فلز- آلی به علت ساختارهای جالب این ترکیبات و قابلیت های کاربردی آنها برای ذخیره و جداسازی گاز، کاتالیز، تشخیص و جداسازی انانتیومرها، خواص مغناطیسی، تنظیم لومینسانس و غیره توجه زیادی را به خود جلب کرده است. اخیرا مشخص شده است که برخی لیگاندهای آلی مسطح صلب مثل ایمیدازول-5،4-دی کربوکسیلیک اسید (h3idc) برای تشکیل چارچوب های فلز- آلی مناسب ...
Chromophores that incorporate f-block elements have considerable potential for use in bioimaging applications because of their advantageous photophysical properties compared to organic dye, which are currently widely used. We are developing new classes of lanthanide-based self-assembling molecular nanoparticles as reporters for imaging and as multi-functional nanoprobes or nanosensors for use w...
A hierarchical, multi-scale computer model for the nucleation of nano-phase materials from the vapor phase is presented. The model utilizes full solutions to quantum mechanics cluster energy equations for sizes up to 10 atoms, and statistical rate theory for larger cluster sizes. Ab initio and semi-empirical quantum mechanics methods are used to investigate the energetics of Si and C clusters. ...
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