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Published By The Royal Society Of Chemistry

1463-9084, 1463-9076

Author(s):  
Jiao Yu ◽  
Caijuan Xia ◽  
Zhengyang Hu ◽  
jianping Sun ◽  
Xiaopeng Hao ◽  
...  

With in-plane heterojunction contacts between semiconducting 2H phase (as channel) and the metallic 1T' phase (as electrode), the two-dimensional (2D) transition metal chalcogenides (TMDs) field-effect transistors (FETs) have received much...


Author(s):  
Qi Wang ◽  
Zhilu Zhang ◽  
Hai-Cai Huang ◽  
Xinyu song ◽  
Yuxiang Bu

The strain effect on the magnetic response of the 2D materials as spintronic devices are always important in actual applications. Due to the intriguing electronic and magnetic properties of two-dimensional...


Author(s):  
Ruaridh Forbes ◽  
Paul Hockett ◽  
Ivan Powis ◽  
John D. Bozek ◽  
Stephen T. Pratt ◽  
...  

Electron spectroscopy following Xe 3d and F 1s ionization in XeF2 elucidates the influence of core electrons on molecular bonding.


Author(s):  
Jin Qian ◽  
Ethan Crumlin ◽  
David Prendergast

X-ray photoemission spectroscopy is a commonly applied characterization technique that probes the local chemistry of atoms in molecules and materials via the photoexcitation of electrons from atomic core orbitals. These...


Author(s):  
Frank Jensen

We review different models for introducing electrical polarization in force fields, with special focus on methods where polarization is modelled at the atomic charge level. While electric polarization has been...


Author(s):  
Yaxiang Gong ◽  
Yuanfeng Wei ◽  
Yuan Gao ◽  
Zunting Pang ◽  
Jianjun Zhang ◽  
...  

The present study found a novel L-phenylalanine monohydrate (L-Phe·H2O) soft crystal, which has the potential to be developed as a medical microdevice owing to its flexibility and biosafety. Structure analysis...


2022 ◽  
Vol 24 (1) ◽  
pp. 3-19

Author(s):  
Bharti bharti ◽  
Debabrata Deb

We use molecular dynamics simulations to investigate the ordering phenomena in two-dimensional (2D) liquid crystals over the one-dimensional periodic substrate (1DPS). We have used Gay-Berne (GB) potential to model the...


2022 ◽  
Vol 24 (1) ◽  
pp. 2-2
Keyword(s):  

Author(s):  
María Mar Quesada-Moreno ◽  
Melanie Schnell ◽  
Daniel A. Obenchain

For complexes involving aromatic species, substitution effects can influence the preferred geometry.


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