نتایج جستجو برای: transition metal

تعداد نتایج: 436811  

2014
Junjie He Pan Zhou N. Jiao S. Y. Ma K. W. Zhang R. Z. Wang L. Z. Sun

Applying two-dimensional monolayer materials in nanoelectronics and spintronics is hindered by a lack of ordered and separately distributed spin structures. We investigate the electronic and magnetic properties of one-dimensional zigzag and armchair 3d transition metal (TM) nanowires on graphyne (GY), using density functional theory plus Hubbard U (DFT + U). The 3d TM nanowires are formed on gr...

Journal: :Small 2015
Jungwook Choi Haorong Chen Feiran Li Lingming Yang Steve S Kim Rajesh R Naik Peide D Ye Jong Hyun Choi

2D transition metal dichalcogenides (TMDCs) are nanomanufactured using a generalized strategy with self-assembled DNA nanotubes. DNA nanotubes of various lengths serve as lithographic etch masks for the dry etching of TMDCs. The nanostructured TMDCs are studied by atomic force microscopy, photoluminescence, and Raman spectroscopy. This parallel approach can be used to manufacture 2D TMDC nanost...

2004
Hans-Joachim Freund Bernhard Dick

A recently developed extension of the CNDO-method is used to study the electronic structure of a number of binuclear transition metal carbonyls and carboxylates with fourfold or quasi-fourfold symmetry. The results are compared to those available from nonempirical calculations. Special attention is paid to the nature of the metal-metal bond. Connections with qualitative MO-considerations allow ...

Journal: :Dalton transactions 2015
Nicolas Sieffert Thomas Kendrick Davide Tiana Carole A Morrison

We present a first principles static and dynamical study of the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3), with a view to arriving at an understanding of how the variation in the electronic properties of the metal sites and ligands can influence the dynamics of the resulting complexes. A broad range of behaviour was observed, encompassing stable classical m...

Journal: :Nature communications 2014
Daichi Kozawa Rajeev Kumar Alexandra Carvalho Kiran Kumar Amara Weijie Zhao Shunfeng Wang Minglin Toh Ricardo M Ribeiro A H Castro Neto Kazunari Matsuda Goki Eda

Two-dimensional crystals of semiconducting transition metal dichalcogenides absorb a large fraction of incident photons in the visible frequencies despite being atomically thin. It has been suggested that the strong absorption is due to the parallel band or 'band nesting' effect and corresponding divergence in the joint density of states. Here, we use photoluminescence excitation spectroscopy t...

Journal: :Chemical communications 2015
Marc D Porosoff Shyam Kattel Wenhui Li Ping Liu Jingguang G Chen

Catalytic reduction of CO2 requires active, selective and low-cost catalysts. Results of this study show that transition metal carbides are a class of promising catalysts and their activity is correlated with oxygen binding energy and reducibility as shown by DFT calculations and in situ measurements.

2017
Liangjie Fu Huaming Yang

In this work, a series of transition metal (Cr, Mn, Fe, and Co) doped kaolinite nanoclays were investigated by density functional theory (DFT) calculations. The influence of metal doping on geometric structure and electronic structure of kaolinite was analyzed. The ferromagnetic (FM), antiferromagnetic (AFM), and nonmagnetic (NM) states of transition metal (TM) doped kaolinite structures were s...

Journal: :Nano letters 2015
Matthew Yankowitz Stefano Larentis Kyounghwan Kim Jiamin Xue Devin McKenzie Shengqiang Huang Marina Paggen Mazhar N Ali Robert J Cava Emanuel Tutuc Brian J LeRoy

Semiconducting transition metal dichalchogenides (TMDs) are a family of van der Waals bonded materials that have recently received interest as alternative substrates to hexagonal boron nitride (hBN) for graphene, as well as for components in novel graphene-based device heterostructures. We elucidate the local structural and electronic properties of graphene on TMD heterostructures through scann...

Journal: :Environmental Health Perspectives 2003
Aurelia Walczak-Drzewiecka Janina Wyczólkowska Jaroslaw Dastych

Upon contact with allergen, sensitized mast cells release highly active proinflammatory mediators. Allergen-mediated mast cell activation is an important mechanism in the pathogenesis of atopic asthma. Asthmatic patients are especially susceptible to air pollution. Epidemiologic studies found a positive correlation between severity of symptoms among asthmatic patients and the level of particula...

2011
Alexandra Friedrich Björn Winkler Erick A. Juarez-Arellano Lkhamsuren Bayarjargal

Transition metal nitrides, carbides and borides have a high potential for industrial applications as they not only have a high melting point but are generally harder and less compressible than the pure metals. Here we summarize recent advances in the synthesis of binary transition metal nitrides, carbides and borides focusing on the reaction of the elements at extreme conditions generated withi...

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