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Published By The Royal Society Of Chemistry

1463-9084, 1463-9076
Updated Wednesday, 19 January 2022

Author(s):  
Xin Li ◽  
Yongbing Zhuang ◽  
Qichao Ran ◽  
Xiangyang Liu
Keyword(s):  

We report that Z/E-diaminotetraphenylethylene (Z/E-2NH2-TPE) molecules suffer primarily from oxidative evolution rather than recognized isomerization. The oxide is separated and its structure is deciphered by single crystal. The oxidative evolution...


Author(s):  
Nabankur Dasgupta ◽  
Chen Chen ◽  
Adri C. T. van Duin

A new ReaxFF reactive force field has been developed for metal carbonate systems including Na+, Ca2+, and Mg2+ cations and the CO32- anion. This force field is fully transferable with...


Author(s):  
Ingo Fischer ◽  
Stephen T Pratt

Photoelectron spectroscopy has long been a powerful method in the toolbox of experimental physical chemistry and molecular physics. Recent improvements in coincidence methods, charged-particle imaging, and electron energy resolution have...


Author(s):  
Juan J. Meléndez ◽  
A. Cantarero

The optical properties of ZrSiS arise from intense excitonic activity, with different character and spatial extension depending on the polarization of the incident light. The system also exhibits plasmonic activity, while the plasmons are unstable and decay into electron–hole pairs.


Author(s):  
Yue Liu ◽  
Bingxue Yu ◽  
Hongli Wang ◽  
Kaiyang Zeng

The contact mode voltage modulated scanning probe microscopy (SPM) techniques, such as switching spectroscopy piezoresponse force microscope (SS-PFM), are powerful tools for detecting local electromechanical behaviors. However, interpreting their signals,...


Author(s):  
Antenor José Paulista Neto ◽  
Débora Ariana Corrêa da Silva ◽  
Vanessa A. Gonçalves ◽  
Hudson Zanin ◽  
Renato Garcia Freitas ◽  
...  

We report on the molecular dynamics atomistic applying the constant potential method to determine the structural and electrostatic interactions at the electrode-electrolyte interface of electrochemical supercapacitors as a function of...


Author(s):  
Partha Malakar ◽  
Veniamin Borin ◽  
Anjan Bedi ◽  
Igor Schapiro ◽  
Ori Gidron ◽  
...  

Due to their unique excited state dynamics, acenes play a dominant role in optoelectronic and light-harvesting applications. Their optical and electronic properties are typically tailored by side-group engineering, which often...


Author(s):  
Zheng-Zhe Lin ◽  
Xi-Mei Li ◽  
Xin-Wei Chen ◽  
Xi Chen

As promising catalytic systems, single-atom catalysts (SACs) demonstrate improved catalytic performance for electrochemical reactions. However, the pinning of metal atoms on surfaces usually depends on the adsorption on defects. In...


Author(s):  
Eetu Pelimanni ◽  
Clara Magdalena Saak ◽  
Georgia Michailoudi ◽  
Nonne L. Prisle ◽  
Marko Huttula ◽  
...  

The formation of multicomponent aerosol particles from precursor solution droplets often involves segregation and surface enrichment of the different solutes, resulting in non-homogeneous particle structures and diverse morphologies. In particular,...


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