In situ magnetic and electronic investigation of the early stage oxidation of Fe nanoparticles using X-ray photo-emission electron microscopy

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: C. A. F. Vaz | A. Balan | F. Nolting | A. Kleibert

Kinetic study of the heterogeneous photocatalysis of porous nanocrystalline TiO₂ assemblies using a continuous random walk simulation

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Baoshun Liu | Xiujian Zhao

Remarkable changes in the photoluminescent properties of Y₂Ce₂O₇:Eu³⁺ red phosphors through modification of the cerium oxidation states and oxygen vacancy ordering

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Athira K. V. Raj | P. Prabhakar Rao | T. S. Sreena | S. Sameera | Vineetha James | U. A. Renju

Tavorite-FeSO₄F as a potential cathode material for Mg ion batteries: a first principles calculation

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Research funded by National Natural Science Foundation of China (51102183,51272179,51472182)

Authors: Jiandong Wu | Guohua Gao | Guangming Wu | Bo Liu | Huiyu Yang | Xiaowei Zhou | Jichao Wang

The effect of branched versus linear alkyl side chains on the bulk heterojunction photovoltaic performance of small molecules containing both benzodithiophene and thienopyrroledione

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Yu Jin Kim | Kwang Hun Park | Jong-jin Ha | Dae Sung Chung | Yun-Hi Kim | Chan Eon Park

Exchange–correlation functionals from the strong interaction limit of DFT: applications to model chemical systems

JOURNAL ARTICLE published 2014 in Phys. Chem. Chem. Phys.

Authors: Francesc Malet | André Mirtschink | Klaas J. H. Giesbertz | Lucas O. Wagner | Paola Gori-Giorgi

Molten salt medium synthesis of wormlike platinum silver nanotubes without any organic surfactant or solvent for methanol and formic acid oxidation

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (51271135)

Authors: Haidong Zhao | Rui Liu | Yong Guo | Shengchun Yang

Particularly strong C–H⋯π interactions between benzene and all-cis 1,2,3,4,5,6-hexafluorocyclohexane

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Rodrigo A. Cormanich | Neil S. Keddie | Roberto Rittner | David O'Hagan | Michael Bühl

Strong orbital deformation due to CH–π interaction in the benzene–methane complex

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Jianfu Li | Rui-Qin Zhang

Spontaneous transition of a water droplet from the Wenzel state to the Cassie state: a molecular dynamics simulation study

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (51321092,51375253)

Authors: Jiadao Wang | Shuai Chen | Darong Chen

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JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

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JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Hybridization induced metallic and magnetic edge states in noble transition-metal-dichalcogenides of PtX₂ (X = S, Se) nanoribbons

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (51671086) | Natural Science Foundation of Hunan Province (2016JJ3089) | Education Department of Hunan Province (16B151)

Authors: Shan Liu | Ziran Liu

How does the electric current propagate through fully-hydrogenated borophene?

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (11774079,U1704136,51772078) | Natural Science Foundation of Henan Province (162300410171,152300410085) | China Scholarship Council (201708410368) | Henan Normal University (2016YQ05) | Basic Energy Sciences (DE-FG02-05ER46237)

Authors: Yipeng An | Jutao Jiao | Yusheng Hou | Hui Wang | Dapeng Wu | Tianxing Wang | Zhaoming Fu | Guoliang Xu | Ruqian Wu

A hybrid hydrazine redox flow battery with a reversible electron acceptor

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Authors: Swapnil Varhade | Zahid M. Bhat | Ravikumar Thimmappa | Mruthyunjayachari C. Devendrachari | Alagar R. Kottaichamy | Manu Gautam | Shahid P. Shafi | Yogesh Kalegowda | Musthafa Ottakam Thotiyl

Molecular investigation of the wettability of rough surfaces using molecular dynamics simulation

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Authors: Hamzeh Yaghoubi | Masumeh Foroutan

Uptake of water by an acid–base nanoparticle: theoretical and experimental studies of the methanesulfonic acid–methylamine system

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Research funded by National Science Foundation (1443140)

Authors: Jing Xu | Véronique Perraud | Barbara J. Finlayson-Pitts | R. Benny Gerber

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JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Heterometallic perovskite-type metal–organic framework with an ammonium cation: structure, phonons, and optical response of [NH₄]Na_0.5Cr_xAl_0.5−x(HCOO)₃ (x = 0, 0.025 and 0.5)

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Research funded by Engineering and Physical Sciences Research Council (EP/L000202) | Narodowe Centrum Nauki (DEC-2015/17/D/ST5/01339) | European Research Council (277757)

Authors: Maciej Ptak | Dagmara Stefańska | Anna Gągor | Katrine L. Svane | Aron Walsh | Waldeci Paraguassu

Iron oxidation dynamics vs. temperature of synthetic potassic-ferro-richterite: a XANES investigation

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (U1532128)

Authors: G. Della Ventura | F. Galdenzi | G. Cibin | R. Oberti | Wei Xu | S. Macis | A. Marcelli