scholarly journals Engineering d‐p Orbital Hybridization in Single‐Atom Metal‐Embedded Three‐Dimensional Electrodes for Li–S Batteries (Adv. Mater. 44/2021)

2021 ◽  
Vol 33 (44) ◽  
pp. 2170351
Author(s):  
Zhiyuan Han ◽  
Shiyong Zhao ◽  
Jiewen Xiao ◽  
Xiongwei Zhong ◽  
Jinzhi Sheng ◽  
...  
2021 ◽  
pp. 2105947
Author(s):  
Zhiyuan Han ◽  
Shiyong Zhao ◽  
Jiewen Xiao ◽  
Xiongwei Zhong ◽  
Jinzhi Sheng ◽  
...  

2018 ◽  
Vol 32 (07) ◽  
pp. 1850073
Author(s):  
Ya-Fen Li ◽  
Fu-Qiang Zhang ◽  
Fang-Qin Ren ◽  
Wen-Jin Ma

The geometries, stabilities and electronic properties of Al[Formula: see text]Pd[Formula: see text] (n = 1–10, m = 1, 2) have been systematically investigated by using the DFT method at B3PW91/GENECP level. The optimized results indicate that the lowest-energy structures of Al[Formula: see text]Pd clusters prefer to form three-dimensional (3D) structures and the Pd atom occupies a peripheral position of Al[Formula: see text]Pd clusters. The most stable Al[Formula: see text]Pd2 clusters can be obtained by adding one Al atom to the most stable structure of Al[Formula: see text]Pd2 clusters except for n = 7 and 10. The two Pd atoms are found to occupy the exclusive surface sites. The analysis of stabilities reveals that Al3Pd[Formula: see text] and Al7Pd[Formula: see text] clusters are more stable than their neighbors. The doping of Pd atoms enhances the stabilities of aluminum clusters. The charges always transfer from Al atoms to Pd atoms in Al[Formula: see text]Pd[Formula: see text] clusters. There exists strong spd orbital hybridization between Pd and Al. The results of polarizability imply that the nucleus and electron cloud of these clusters are easily affected by the external field and the nonlinear optical effect of Al[Formula: see text]Pd and Al[Formula: see text]Pd2 clusters is enhanced with the increase of cluster size.


Nano Letters ◽  
2011 ◽  
Vol 11 (2) ◽  
pp. 729-733 ◽  
Author(s):  
Wookrae Kim ◽  
Changwon Park ◽  
Jung-Ryul Kim ◽  
Youngwoon Choi ◽  
Sungsam Kang ◽  
...  

Nano Letters ◽  
2015 ◽  
Vol 15 (3) ◽  
pp. 1938-1942 ◽  
Author(s):  
Shichao Yan ◽  
Deung-Jang Choi ◽  
Jacob A. J. Burgess ◽  
Steffen Rolf-Pissarczyk ◽  
Sebastian Loth

2019 ◽  
Vol 7 (24) ◽  
pp. 14478-14482 ◽  
Author(s):  
Jin-Cheng Li ◽  
Min Cheng ◽  
Tao Li ◽  
Lu Ma ◽  
Xiaofan Ruan ◽  
...  

A three-dimensional structure consisting of atomically dispersed Fe, N-doped hollow carbon nanospheres linked by carbon nanotubes was engineered as an electrocatalyst showing a high activity for oxygen reduction reaction.


Author(s):  
G.D.W. Smith ◽  
A. Cerezo ◽  
C.R.M. Grovenor ◽  
T.J. Godfrey ◽  
R.P. Setna

The combination of a field ion microscope with a time-of-flight mass spectrometer provides the capability for chemical microanalysis at the single atom level. Such an instrument is termed an Atom Probe. Conventionally, the connection between the microscope and the mass spectrometer is made via a small aperture hole in the imaging screen. This defines a region on the specimen, typically about 2nm across, from which the analysis is obtained. The disadvantage of this arrangement is that other regions of the specimen cannot be examined, as ions from all but the selected area strike the image screen and therefore do not pass into the mass spectrometer. In order to overcome this problem, we have developed a version of the Atom Probe which incorporates a wide-angle position sensitive detector system. This instrument, which we have termed the POSAP, is shown schematically in figure 1. Typically, the field of view in this instrument is about 20nm across. The number of ions collected per atom layer removed from the specimen surface is therefore approximately 5,000.


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