scholarly journals Deep Insight Into the Electronic Structure of Ternary Topological Insulators: A Comparative Study of PbBi 4 Te 7 and PbBi 6 Te 10

2018 ◽  
Vol 12 (12) ◽  
pp. 1800341 ◽  
Author(s):  
D. Pacilè ◽  
S. V. Eremeev ◽  
M. Caputo ◽  
M. Pisarra ◽  
O. De Luca ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Comparative Study ◽  
Topological Insulators ◽  
Deep Insight ◽  
Insight Into

Mechanistic insights into the allylic oxidation of aliphatic compounds by tetraamido iron(v) species: A C–H vs. O–H bond activation

2020 ◽  
Vol 44 (44) ◽  
pp. 19103-19112
Author(s):  
Monika ◽  
Azaj Ansari
Keyword(s):  
Comparative Study ◽  
Bond Activation ◽  
Iron Complex ◽  
Catalytic Reactions ◽  
Allylic Oxidation ◽  
Deep Insight ◽  
Aliphatic Compounds ◽  
High Valent ◽  
Insight Into

This work is based on a deep insight into a comparative study of C–H vs. O–H bond activation of allylic compound by the high valent iron complex. Our theoretical findings can help to design catalysts with better efficiency for catalytic reactions.

Deep insight into the photocatalytic activity and electronic structure of amorphous earth-abundant MgAl2O4

2017 ◽  
Vol 4 (11) ◽  
pp. 1832-1840 ◽  
Author(s):  
Xin Qian ◽  
Bo Li ◽  
Hui-ying Mu ◽  
Jie Ren ◽  
Ying Liu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photocatalytic Activity ◽  
Deep Insight ◽  
Earth Abundant ◽  
Insight Into

The reason responsible for the photo-absorption of amorphous MgAl2O4 is clarified and its CB and VB positions are proposed.

scholarly journals Theoretical Mechanism Study on the Reaction of FOO Radical with NO

2016 ◽  
Vol 2016 ◽  
pp. 1-6 ◽  
Author(s):  
ShunLi Ou Yang ◽  
NanNan Wu ◽  
JingYao Liu ◽  
XiangGang Han
Keyword(s):  
Electronic Structure ◽  
Potential Energy Surfaces ◽  
Room Temperature ◽  
Single Point ◽  
Deep Insight ◽  
Mechanism Study ◽  
Structure Information ◽  
Theoretical Mechanism ◽  
Energy Surfaces ◽  
Insight Into

The mechanism for the reaction of radical FOO with NO was investigated theoretically. The electronic structure information for the singlet potential energy surfaces (PES) was obtained at the MP2/6-311+G(2df) level of theory, and the single-point energies were refined by the CCSD(T)/6-311+G(2df) level. The rate constants as well as the pressure and temperature dependence of various product channels for the reaction are predicted. The calculated results show that starting from the energy-rich intermediateFOONOtp(IM1), at room temperature 298 K and at 1 Torr, FNO is the exclusive product which is consistent with the experimental results. The present results will be useful to gain a deep insight into the reaction mechanism of FOO + NO reaction.

Thousands of human sequences provide deep insight into single genomes

Nature ◽  
2020 ◽  
Vol 581 (7809) ◽  
pp. 385-386
Author(s):  
Deanna M. Church
Keyword(s):  
Deep Insight ◽  
Insight Into

Mobile-Friendly Dashboards to Display Associations Between Cited-by and Similar Journals on Mobile Health Research: A Bibliometric Study (Preprint)

2018 ◽  
Author(s):  
Tsair-Wei Chien ◽  
Hsien-Yi Wang ◽  
Yang Shao ◽  
Willy Chou
Keyword(s):  
Social Network ◽  
Mobile Health ◽  
Health Research ◽  
Similarity Criteria ◽  
Network Density ◽  
Deep Insight ◽  
Density Indices ◽  
The Subject ◽  
The Given ◽  
Insight Into

BACKGROUND Researchers often spend a great deal of time and effort retrieving related journals for their studies and submissions. Authors often designate one article and then retrieve other articles that are related to the given one using PubMed’s service for finding cited-by or similar articles. However, to date, none present the association between cited-by and similar journals related to a given journal. Authors need one effective and efficient way to find related journals on the topic of mobile health research. OBJECTIVE This study aims (1) to show the related journals for a given journal by both cited-by and similarity criteria; (2) to present the association between cited-by and similarity journals related to a given journal; (3) to inspect the patterns of network density indices among clusters classified by social network analysis (SNA); (4) to investigate the feature of Kendall's coefficient(W) of concordance. METHODS We obtained 676 abstracts since 2013 from Medline based on the keywords of ("JMIR mHealth and uHealth"[Journal]) on June 30, 2018, and plotted the clusters of related journals on Google Maps by using MS Excel modules. The features of network density indices were examined. The Kendall coefficient (W) was used to assess the concordance of clusters across indices. RESULTS This study found that (1) the journals related to JMIR mHealth and uHealth are easily presented on dashboards; (2) a mild association(=0.14) exists between cited-by and similar journals related to JMIR mHealth and uHealth; (3) the median Impact Factor were 3.37 and 2.183 based on the representatives of top ten clusters grouped by the cited-by and similar journals, respectively; (4) all Kendall’s coefficients(i.e., 0.82, 0.89, 0.92, and 0.75) for the four sets of density centrality have a statistically significant concordance (p < 0.05). CONCLUSIONS SNA provides deep insight into the relationships of related journals to a given journal. The results of this research can provide readers with a knowledge and concept diagram to use with future submissions to a given journal in the subject category of Mobile Health Research. CLINICALTRIAL Not available

Deep insight into the charge transfer interactions in 1,2,4,5-tetracyanobenzene-phenazine cocrystal

2021 ◽  
Author(s):  
Hongnan Wu ◽  
Yajing Sun ◽  
Lingjie Sun ◽  
Liwei Wang ◽  
Xiaotao Zhang ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Deep Insight ◽  
Insight Into

scholarly journals Surface contact behavior of functionally graded thermoelectric materials indented by a conducting punch

2021 ◽  
Author(s):  
Xiaojuan Tian ◽  
Yueting Zhou ◽  
Lihua Wang ◽  
Shenghu Ding
Keyword(s):  
Thermoelectric Materials ◽  
Singular Integral Equations ◽  
Damage Mechanism ◽  
Functionally Graded ◽  
Deep Insight ◽  
Displacement Fields ◽  
Thermoelectric Effects ◽  
Homogeneous Solutions ◽  
The Fourier Transform ◽  
Insight Into

AbstractThe contact problem for thermoelectric materials with functionally graded properties is considered. The material properties, such as the electric conductivity, the thermal conductivity, the shear modulus, and the thermal expansion coefficient, vary in an exponential function. Using the Fourier transform technique, the electro-thermo-elastic problems are transformed into three sets of singular integral equations which are solved numerically in terms of the unknown normal electric current density, the normal energy flux, and the contact pressure. Meanwhile, the complex homogeneous solutions of the displacement fields caused by the gradient parameters are simplified with the help of Euler’s formula. After addressing the non-linearity excited by thermoelectric effects, the particular solutions of the displacement fields can be assessed. The effects of various combinations of material gradient parameters and thermoelectric loads on the contact behaviors of thermoelectric materials are presented. The results give a deep insight into the contact damage mechanism of functionally graded thermoelectric materials (FGTEMs).

scholarly journals Social Polarisation at the Local Level: A Four-Town Comparative Study on the Challenges of Politicising Inequality in Britain

Sociology ◽  
2020 ◽  
pp. 003803852097559 ◽  
Author(s):  
Insa Koch ◽  
Mark Fransham ◽  
Sarah Cant ◽  
Jill Ebrey ◽  
Luna Glucksberg ◽  
...  
Keyword(s):  
Comparative Study ◽  
Local Level ◽  
Social Groups ◽  
Community Analysis ◽  
Common Features ◽  
Social Polarisation ◽  
The Uk ◽  
Missing Middle ◽  
Insight Into

This article examines how intensifying inequality in the UK plays out at a local level, in order to bring out the varied ways polarisation takes place ‘on the ground’. It brings a community analysis buttressed by quantitative framing to the study of economic, spatial and relational polarisation in four towns in the UK. We distinguish differing dynamics of ‘elite-based’ polarisation (in Oxford and Tunbridge Wells) and ‘poverty-based’ polarisation (in Margate and Oldham). Yet there are also common features. Across the towns, marginalised communities express a sense of local belonging. But tensions between social groups also remain strong and all towns are marked by a weak or ‘squeezed middle’. We argue that the weakness of intermediary institutions, including but not limited to the ‘missing middle’, and capable of bridging gaps between various social groups, provides a major insight into both the obstacles to, and potential solutions for, re-politicising inequality today.

scholarly journals Indirect bandgap, optoelectronic properties, and photoelectrochemical characteristics of high-purity Ta3N5 photoelectrodes

2021 ◽  
Vol 9 (36) ◽  
pp. 20653-20663
Author(s):  
Johanna Eichhorn ◽  
Simon P. Lechner ◽  
Chang-Ming Jiang ◽  
Giulia Folchi Heunecke ◽  
Frans Munnik ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
High Purity ◽  
Optoelectronic Properties ◽  
Precise Control ◽  
Insight Into

The (opto)electronic properties of Ta3N5 photoelectrodes are often dominated by defects, but precise control of these defects provides new insight into the electronic structure, photocarrier transport, and photoelectrochemical function.

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