RSC - Phys. Chem. Chem. Phys. latest articles

RSC - Phys. Chem. Chem. Phys. latest articles

Latest articles

First-principles study on structural and electrochemical properties of NaxTi2O4 (0 ≤ x ≤ 1) with tunnel structure for anode application of alkali-ion battery

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D1CP00269D, PaperSong-Hyok Choe, Chol-Jun Yu, Yong-Chol Pak, Ye-Gyong Choe, Kwang-Il Jon, Jin-Song Kim, Kum-Chol RiDue to low cost and easy synthesizing method, several kinds of sodium titanates have been explored as anode materials for sodium ion batteries (SIBs). However, some of them...

Energy Density of High-pressure Nitrogen-Rich MNx Compounds

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D1CP00527H, PaperFangbao Jiao, Chaoyang Zhang, Weiyu XieIn the past decade, a large number of nitrogen-rich MNx compounds have been discovered at high-pressure conditions. In this work, we have evaluated the energy densities of MNx structures with...The content of this RSS Feed (c) The Royal...

Spectral Tuning of Chlorophylls in Proteins – Electrostatics vs. Ring Deformation

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D0CP06582J, PaperYigal Lahav, Dror Noy, Igor Schapiro: In photosynthetic complexes, tuning of chlorophyll light-absorption spectra by the protein environment is crucial to their efficiency and robustness. Water Soluble Chlorophyll-binding Proteins from Brassicaceae (WSCPs) are useful for...The...

First-Principles Calculations of Hybrid Inorganic-Organic Interfaces: From State-of-the-Art to Best Practice

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D0CP06605B, Perspective Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Oliver Hofmann, Egbert Zojer, Lukas Hörmann, Andreas Jeindl, Reinhard MaurerThe computational characterization of inorganic-organic hybrid interfaces is arguably one...

Resolving the F2 Bond Energy Discrepancy Using Coincidence Ion Pair Production (cipp) Spectroscopy

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D1CP00140J, PaperKristján Matthíasson, Agust Kvaran, Gustavo Adolfo Garcia, Peter Weidner, Balint SztárayCoincidence ion pair production (cipp) spectra of F2 were recorded on the DELICIOUS III coincidence spectrometer in the one-photon excitation region of 125 975–126 210 cm–1. The F+ +...

Relevance of hydrogen bonded associates on the transport properties and nanoscale dynamics of liquid and supercooled 2-propanol

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D0CP05481J, PaperYanqin Zhai, Peng Luo, Michihiro Nagao, Kenji Nakajima, Tatsuya Kikuchi, Yukinobu Kawakita, Paul Kienzle, Y Z, Antonio Faraone2-propanol was investigated, in both the liquid and supercooled states, as a model system to study how hydrogen bonds affect the structural relaxation...

Retention of Surface Structure Causes Lower Density in Atomic Layer Deposition of Amorphous Titanium Oxide Thin Films

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D1CP00341K, PaperBenjamin Rich, Yael Etinger-Geller, G. Ciatto, A Katsman, Boaz PokroySize effects and structural modifications in amorphous TiO2 films deposited by atomic layer deposition (ALD) were investigated. As with the previously investigated ALD-deposited Al2O3 system we found that...

Characterization of Two Photon Excited Fragment Spectroscopy (TPEFS) for HNO3 detection in gas-phase kinetic experiments

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D1CP00297J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Damien Amedro, Arne Joakim Bunkan, Terry James Dillon, John CrowleyWe have developed and tested two-photon, excited fragment spectroscopy (TPEFS) for detecting HNO3 in pulsed...

Atomistic simulation studies of ionic cyanine dyes: self-assembly and aggregate formation in aqueous solution

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D0CP06205G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Gary Yu, Martin Walker, Mark Richard WilsonCyanine dyes are known to form large-scale aggregates of various morphologies via spontaneous self-assembly in aqueous solution, akin...

Kinetics Study on Hydrogen Abstraction Reactions of Cyclopentane by Hydrogen, Methyl, and Ethyl Radicals

Phys. Chem. Chem. Phys., 2021, Accepted ManuscriptDOI: 10.1039/D1CP00386K, PaperWenqi Chen, Xuan Guo, Lifang Chen, Rui Ming Zhang, Yan Li, Haisong Feng, Xuefei Xu, Xin ZhangHydrogen abstraction reactions of (cyclo)alkanes by radicals play a fundamental role in both combustion and atmospheric chemistry. In this work, we select three common radicals in...

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