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Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: Davide Presti | Alfonso Pedone | Giordano Mancini | Celia Duce | Maria Rosaria Tiné | Vincenzo Barone

Improving As(iii) adsorption on graphene based surfaces: impact of chemical doping

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Authors: Diego Cortés-Arriagada | Alejandro Toro-Labbé

Hydrogen-bond enhancement triggered structural evolution and band gap engineering of hybrid perovskite (C6H5CH2NH3)2PbI4 under high pressure

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (11634004,11974133,51632002,91745203) | National Basic Research Program of China (2018YFA0703404,2016YFB0201204)

Authors: Can Tian | Yongfu Liang | Wuhao Chen | Yanping Huang | Xiaoli Huang | Fubo Tian | Xinyi Yang

Determination of derived volumetric properties and heat capacities at high pressures using two density scaling based equations of state. Application to dipentaerythritol hexa(3,5,5-trimethylhexanoate)

JOURNAL ARTICLE published 2018 in Physical Chemistry Chemical Physics

Research funded by Ministerio de Economía y Competitividad (CTQ2011-23925,ENE2014-55489-C2-1/2-R) | International Union of Pure and Applied Chemistry (2012-051-1-100)

Authors: E. R. López | O. Fandiño | D. Cabaleiro | L. Lugo | J. Fernández

Electrodeposition model with dynamic ion diffusion coefficients for predicting void defects in electroformed microcolumn arrays

JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (51920105008) | Natural Science Foundation of Hunan Province (2022JJ40624)

Authors: Zhigao Ma | Bingyan Jiang | Yanzhuo Dong | Jun Qiang | Dietmar Drummer | Lu Zhang

Laser-induced microstructuring of two-dimensional layered inorganic–organic perovskites

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: Pawan K. Kanaujia | G. Vijaya Prakash

Phototriggered NO and CN release from [Fe(CN)5NO]2− molecules electrostatically attached to TiO2 surfaces

JOURNAL ARTICLE published 2010 in Physical Chemistry Chemical Physics

Authors: Volker Dieckmann | Mirco Imlau | Dereje Hailu Taffa | Lorenz Walder | Robert Lepski | Dominik Schaniel | Theo Woike

Comprehensive evaluation of ten docking programs on a diverse set of protein–ligand complexes: the prediction accuracy of sampling power and scoring power

JOURNAL ARTICLE published 2016 in Physical Chemistry Chemical Physics

Authors: Zhe Wang | Huiyong Sun | Xiaojun Yao | Dan Li | Lei Xu | Youyong Li | Sheng Tian | Tingjun Hou

Improved cathode for high efficient microbial-catalyzed reduction in microbial electrosynthesis cells

JOURNAL ARTICLE published 2013 in Physical Chemistry Chemical Physics

Authors: Huarong Nie | Tian Zhang | Mengmeng Cui | Haiyun Lu | Derek R. Lovley | Thomas P. Russell

In situ Raman and in situ XRD analysis of PdO reduction and Pd° oxidation supported on γ-Al2O3 catalyst under different atmospheres

JOURNAL ARTICLE published 2011 in Physical Chemistry Chemical Physics

Authors: Alexandre Baylet | Patrice Marécot | Daniel Duprez | Paola Castellazzi | Gianpiero Groppi | Pio Forzatti

Solar reduced graphene oxide decorated with manganese dioxide nanostructures for brackish water desalination using asymmetric capacitive deionization

JOURNAL ARTICLE published 2023 in Physical Chemistry Chemical Physics

Research funded by Department of Science and Technology, Ministry of Science and Technology, India (DST/TMD/HCF/ 2K18/130) | University Grants Commission (F.4-5(125)/2014(BSR)/FRP)

Authors: Shreerang D. Datar | Nitish Kumar | Vrushali Sawant | Noora Shaikh | Neetu Jha

1-Propanol probing methodology: two-dimensional characterization of the effect of solute on H2O

JOURNAL ARTICLE published 2013 in Physical Chemistry Chemical Physics

Authors: Yoshikata Koga

Transition metal-containing molecular devices: controllable single-spin negative differential thermoelectric resistance effects under gate voltages

JOURNAL ARTICLE published 2019 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (61674022,11747097) | Natural Science Foundation of Jiangsu Province (BK20171243)

Authors: Xifeng Yang | Fangxin Tan | Yaojun Dong | Hailin Yu | Yushen Liu

Surprisingly good thermoelectric performance of a black phosphorus/blue phosphorus van der Waals heterostructure

JOURNAL ARTICLE published 2020 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (51772220,11574236)

Authors: R. Hu | Z. Z. Zhou | C. Y. Sheng | L. Wang | J. H. Liu | S. H. Han | H. J. Liu

Reactions between microhydrated superoxide anions and formic acid

JOURNAL ARTICLE published 2017 in Physical Chemistry Chemical Physics

Authors: Mauritz Johan Ryding | Israel Fernández | Einar Uggerud

A comparison of diffusion coefficients for ternary mixed micelle solutions measured by macroscopic gradient and dynamic light scattering techniques

JOURNAL ARTICLE published 2008 in Physical Chemistry Chemical Physics

Authors: Bijan Das | Basanti Maitra | Sean M. Mercer | Michelle Everist | Derek G. Leaist

The effect of various electrolyte cations on electrochemical performance of polypyrrole/RGO based supercapacitors

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by National Natural Science Foundation of China (21274115,51201128)

Authors: Jianbo Zhu | Youlong Xu | Jie Wang | Jun Lin | Xiaofei Sun | Shengchun Mao

The carrier mobility of monolayer and bulk GaS: from first-principles calculations

JOURNAL ARTICLE published 2022 in Physical Chemistry Chemical Physics

Authors: Jiangnan Wang | Ruijie Zhang | Huagang Xiao | Runyu Zhou | Tao Gao

The effect of the size and shape on the bond number of quantum dots and its relationship with thermodynamic properties

JOURNAL ARTICLE published 2015 in Physical Chemistry Chemical Physics

Research funded by Natural Science Foundation of Shanxi Province (2014011010,2014021018-1) | National Natural Science Foundation of China (11404235,51301073)

Authors: H. Li | H. J. Xiao | T. S. Zhu | H. C. Xuan | M. Li

Functionalized M2TiC2Tx MXenes (M = Cr and Mo; T = F, O, and OH) as high performance electrode materials for sodium ion batteries

JOURNAL ARTICLE published 2021 in Physical Chemistry Chemical Physics

Research funded by Natural Science Foundation of Shandong Province (ZR2014EMM013,ZR2014EMQ009) | Fundamental Research Funds for the Central Universities (HIT.KITP.2014030)

Authors: Q. D. Chen | S. F. Yuan | J. H. Dai | Y. Song