Pentalene as a ligand in hypoelectronic diruthenaboranes and diosmaboranes with surface metal–metal double bonding

Polyhedron ◽  
2014 ◽  
Vol 71 ◽  
pp. 133-141
Author(s):  
Alexandru Lupan ◽  
R. Bruce King
Keyword(s):  
Metal Metal ◽  
Surface Metal

Quasiperiodic interfaces: HREM observations of grain and phase boundaries

1990 ◽  
Vol 48 (4) ◽  
pp. 332-333
Author(s):  
K. L. Merkle
Keyword(s):  
Atomic Structure ◽  
Direct Determination ◽  
Lattice Parameter ◽  
Atomic Scale ◽  
Misfit Dislocations ◽  
Oxide Systems ◽  
Atomic Structures ◽  
Periodic Arrays ◽  
Parameter Ratio ◽  
Metal Metal

The atomic structures of internal interfaces have recently received considerable attention, not only because of their importance in determining many materials properties, but also because the atomic structure of many interfaces has become accessible to direct atomic-scale observation by modem HREM instruments. In this communication, several interface structures are examined by HREM in terms of their structural periodicities along the interface.It is well known that heterophase boundaries are generally formed by two low-index planes. Often, as is the case in many fcc metal/metal and metal/metal-oxide systems, low energy boundaries form in the cube-on-cube orientation on (111). Since the lattice parameter ratio between the two materials generally is not a rational number, such boundaries are incommensurate. Therefore, even though periodic arrays of misfit dislocations have been observed by TEM techniques for numerous heterophase systems, such interfaces are quasiperiodic on an atomic scale. Interfaces with misfit dislocations are semicoherent, where atomically well-matched regions alternate with regions of misfit. When the misfit is large, misfit localization is often difficult to detect, and direct determination of the atomic structure of the interface from HREM alone, may not be possible.

Metal-Metal Cooperative Bond Activation by Heterobimetallic Alkyl, Aryl, and Acetylide PtII/CuI Complexes

2020 ◽  
Author(s):  
Shubham Deolka ◽  
Orestes Rivada Wheelaghan ◽  
Sandra Aristizábal ◽  
Robert Fayzullin ◽  
Shrinwantu Pal ◽  
...  
Keyword(s):  
Alkyl Group ◽  
Bond Activation ◽  
Bond Cleavage ◽  
Terminal Alkyne ◽  
Alkyl Aryl ◽  
Metal Metal ◽  
The Stability ◽  
Selective Formation ◽  
Organoplatinum Compounds

We report selective formation of heterobimetallic PtII/CuI complexes that demonstrate how facile bond activation processes can be achieved by altering reactivity of common organoplatinum compounds through their interaction with another metal center. The interaction of the Cu center with Pt center and with a Pt-bound alkyl group increases the stability of PtMe2 towards undesired rollover cyclometalation. The presence of the CuI center also enables facile transmetalation from electron-deficient tetraarylborate [B(ArF)4]- anion and mild C-H bond cleavage of a terminal alkyne, which was not observed in the absence of an electrophilic Cu center. The DFT study indicates that the role of Cu center acts as a binding site for alkyne substrate, while activating its terminal C-H bond.

Functional Gradient Transparent Conducting Oxide Nanowire Arrays as Monophasic Schottky-Barrier Free Memristors for Bipolar Linear Switching

2020 ◽  
Author(s):  
Thomas Herzog ◽  
Naomi Weitzel ◽  
Sebastian Polarz
Keyword(s):  
Schottky Barrier ◽  
Data Storage ◽  
Tin Oxide ◽  
Transparent Conducting Oxide ◽  
Electrical Potential ◽  
High Resistance State ◽  
Nanowire Arrays ◽  
Metal Metal ◽  
Resistance State ◽  
Barrier Free

<div><div><div><p>One of the fascinating properties of metal-semiconductor Schottky-barriers, which has been observed for some material combinations, is memristive behavior. Memristors are smart, since they can reversibly switch between a low resistance state and a high resistance state. The devices offer a great potential for advanced computing and data storage, including neuromorphic networks and resistive random-access memory. However, as for many other cases, the presence of a real interface (metal - metal oxide) has numerous disadvantages. The realization of interface-free, respectively Schottky-barrier free memristors is highly desirable. The aim of the current paper is the generation of nanowire arrays with each nanorod possessing the same crystal phase (Rutile) and segments only differing in composition. The electric conductivity is realized by segments made of highly-doped antimony tin oxide (ATO) transitioning into pure tin oxide (TO). Complex nanoarchitectures are presented, which include ATO-TO, ATO-TO-ATO nanowires either with a stepwise distribution of antimony or as a graded functional material. The electrical characterization of the materials reveals that the introduction of memristive properties in such structures is possible. The special features observed in voltage-current (IV) curves are correlated to the behavior of mobile oxygen vacancies (VO..) at different values of applied electrical potential.</p></div></div></div>

Tuning Transition Metal Carbides Activity by Surface Metal Alloying: Case Study on CO2 Capture and Activation

2018 ◽  
Author(s):  
Marti Lopez ◽  
Luke Broderick ◽  
John J Carey ◽  
Francesc Vines ◽  
Michael Nolan ◽  
...  
Keyword(s):  
Transition Metal ◽  
Co2 Capture ◽  
Density Functional ◽  
Deep Understanding ◽  
Metal Carbides ◽  
Transition Metal Carbides ◽  
Adsorption Sites ◽  
Surface Metal ◽  
A Minor

<div>CO2 is one of the main actors in the greenhouse effect and its removal from the atmosphere is becoming an urgent need. Thus, CO2 capture and storage (CCS) and CO2 capture and usage (CCU) technologies are intensively investigated as technologies to decrease the concentration</div><div>of atmospheric CO2. Both CCS and CCU require appropriate materials to adsorb/release and adsorb/activate CO2, respectively. Recently, it has been theoretically and experimentally shown that transition metal carbides (TMC) are able to capture, store, and activate CO2. To further improve the adsorption capacity of these materials, a deep understanding of the atomic level processes involved is essential. In the present work, we theoretically investigate the possible effects of surface metal doping of these TMCs by taking TiC as a textbook case and Cr, Hf, Mo, Nb, Ta, V, W, and Zr as dopants. Using periodic slab models with large</div><div>supercells and state-of-the-art density functional theory based calculations we show that CO2 adsorption is enhanced by doping with metals down a group but worsened along the d series. Adsorption sites, dispersion and coverage appear to play a minor, secondary constant effect. The dopant-induced adsorption enhancement is highly biased by the charge rearrangement at the surface. In all cases, CO2 activation is found but doping can shift the desorption temperature by up to 135 K.</div>

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