Thiols and phosphines are the most widely used organic ligands to attain atomically precise metal nanoclusters (NCs). Here, we used simple hydrides (e.g., H) as ligands along with phosphines, such as triphenylphosphine (TPP), 1,2-bis(diphenylphosphino)ethane [DPPE], and tris(4-fluorophenyl)phosphine [TFPP] to design and synthesize a new class of hydride-rich silver NCs. This class includes [AgH(TPP)], [AgH(DPPE)], and [AgH(TFPP)]. Our work reveals a new family of atomically precise NCs protected by H ligands and labile phosphines, with potentially more accessible active metal sites for functionalization and provides a new set of stable NC sizes with simpler ligand-metal bonding for researchers to explore both experimentally and computationally.
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http://dx.doi.org/10.1021/jacs.6b05482 | DOI Listing |
Native ion channels play key roles in biological systems, and engineered versions are widely used as chemogenetic tools and in sensing devices . Protein design has been harnessed to generate pore-containing transmembrane proteins, but the capability to design ion selectivity based on the interactions between ions and selectivity filter residues, a crucial feature of native ion channels , has been constrained by the lack of methods to place the metal-coordinating residues with atomic-level precision. Here we describe a bottom-up RFdiffusion-based approach to construct Ca channels from defined selectivity filter residue geometries, and use this approach to design symmetric oligomeric channels with Ca selectivity filters having different coordination numbers and different geometries at the entrance of a wide pore buttressed by multiple transmembrane helices.
View Article and Find Full Text PDFIt is now possible to generate large volumes of high-quality images of biomolecules at near-atomic resolution and in near-native states using cryogenic electron microscopy/electron tomography (Cryo-EM/ET). However, the precise annotation of structures like filaments and membranes remains a major barrier towards applying these methods in high-throughput. To address this, we present TARDIS ( ransformer-b sed apid imensionless nstance egmentation), a machine-learning framework for fast and accurate annotation of micrographs and tomograms.
View Article and Find Full Text PDFACS Nano
January 2025
Institute of Physics and Astronomy, University of Potsdam, 14476 Potsdam-Golm, Germany.
The reduced dimensionality of thin transition metal dihalide films on single-crystal surfaces unlocks a diverse range of magnetic and electronic properties. However, achieving stoichiometric monolayer islands requires precise control over the growth conditions. In this study, we employ scanning probe microscopy to investigate the growth of MnI on Ag(111) via single-crucible evaporation.
View Article and Find Full Text PDFACS Nano
January 2025
School of Chemistry, Beihang University, Beijing 100191, China.
Two-dimensional (2D) ferromagnetic materials are subjects of intense research owing to their intriguing physicochemical properties, which hold great potential for fundamental research and spintronic applications. Specifically, 2D van der Waals (vdW) ferromagnetic materials retain both structural integrity and chemical stability even at the monolayer level. Moreover, due to their atomic thickness, these materials can be easily manipulated by stacking them with other 2D vdW ferroic and nonferroic materials, enabling precise control over their physical properties and expanding their functional applications.
View Article and Find Full Text PDFNano Lett
January 2025
State Key Laboratory of Structural Analysis for Industrial Equipment & School of Physics, Dalian University of Technology, Dalian 116024 People's Republic of China.
A sumanene monolayer, with a Kagome-like lattice and two flat bands and two Dirac cones in the band structures, can be atomically assembled by C clusters. In this paper, first-principles simulations indicate surface charge doping can purposely shift the Fermi level between Dirac cones and flat bands. Interestingly, Li/Na/K atoms can be well distributed in bowl-like structures, transforming the semiconducting sumanene monolayer into a semimetal by shifting the Fermi energy exactly to the Dirac cone.
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