PCCP Cover Gallery: December 2019


Issue 48

Transition of interfacial capacitors in electrowetting on a graphite surface by ion intercalation

Biao Tang, Wan Shao, Jan Groenewold, Hao Li, Yancong Feng, Xuezhu Xu, Lingling Shui, Jitesh Barman and Guofu Zhou

Phys. Chem. Chem. Phys., 2019, 21, 26284 DOI:10.1039/C9CP04436A

Elucidating the structure and dynamics of CO ad-layers on MgO surfaces

Jefferson Maul, Giuseppe Spoto, Lorenzo Mino and Alessandro Erba

Phys. Chem. Chem. Phys., 2019, 21, 26279 DOI:10.1039/C9CP05418A

A multi-scale time-resolved study of photoactivated dynamics in 5-benzyl uracil, a model for DNA/protein interactions

Mohammadhassan Valadan, Enrico Pomarico, Bartolomeo Della Ventura, Felice Gesuele, Raffaele Velotta, Angela Amoresano, Gabriella Pinto, Majed Chergui, Roberto Improta and Carlo Altucci

Phys. Chem. Chem. Phys., 2019, 21, 26301 DOI:10.1039/C9CP03839F

The dual-defective SnS2 monolayers: promising 2D photocatalysts for overall water splitting

Batjargal Sainbileg, Ying-Ren Lai, Li-Chyong Chen and Michitoshi Hayashi

Phys. Chem. Chem. Phys., 2019, 21, 26292 DOI:10.1039/C9CP04649F


Issue 47

Understanding the structure and dynamics of cationic surfactants from studies of pure solid phases

Jeremy K. Cockcroft, André Shamsabadi, Han Wu and Adrian R. Rennie

Phys. Chem. Chem. Phys., 2019, 21, 25945 DOI:10.1039/C9CP04486H

Atomic order, electronic structure and thermodynamic stability of nickel aluminate

Ishfaque Elias, Aloysius Soon, Jun Huang, Brian S. Haynes and Alejandro Montoya

Phys. Chem. Chem. Phys., 2019, 21, 25952 DOI:10.1039/C9CP04325J

Superconductivity in an organometallic compound

Ren-Shu Wang, Liu-Cheng Chen, Hui Yang, Ming-An Fu, Jia Cheng, Xiao-Lin Wu, Yun Gao, Zhong-Bing Huang and Xiao-Jia Chen

Phys. Chem. Chem. Phys., 2019, 21, 25976 DOI:10.1039/C9CP04227J

Dependency of f states in fluorite-type XO2 (X = Ce, Th, U) on the stability and electronic state of doped transition metals

Qian Ding, Ruizhi Qiu and Bingyun Ao

Phys. Chem. Chem. Phys., 2019, 21, 25962 DOI:10.1039/C9CP04371C


Issue 46

Structural and electronic transport properties of a SiC chain encapsulated inside a SiC nanotube: first-principles study

Yi Mu, Cai Cheng, Cui-E Hu and Xiao-Lin Zhou

Phys. Chem. Chem. Phys., 2019, 21, 25548 DOI:10.1039/C9CP03945G

An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces

Srikanth Ravipati, Amparo Galindo, George Jackson and Andrew J. Haslam

Phys. Chem. Chem. Phys., 2019, 21, 25558 DOI:10.1039/C9CP02601K

Matrix infrared spectroscopy of F2BMF and FBWF2 (M = Cr, Mo and W) complexes and quantum chemistry calculations

Bing Xu, Wenjing Li, Zhen Pu, Wenjie Yu, Tengfei Huang, Juanjuan Cheng and Xuefeng Wang

Phys. Chem. Chem. Phys., 2019, 21, 25577 DOI:10.1039/C9CP04888J

Structure–thermodynamics relationship of schoepite from first-principles

Philippe F. Weck, Carlos F. Jové-Colón and Eunja Kim

Phys. Chem. Chem. Phys., 2019, 21, 25569 DOI:10.1039/C9CP04117F


Issue 45

Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases

Mathias Rapacioli, Fernand Spiegelman and Nathalie Tarrat

Phys. Chem. Chem. Phys., 2019, 21, 24857 DOI:10.1039/C9CP03897C

Ultranarrow heterojunctions of armchair-graphene nanoribbons as resonant-tunnelling devices

F. Sánchez-Ochoa, Jie Zhang, Yueyao Du, Zhiwei Huang, G. Canto, Michael Springborg and Gregorio H. Cocoletzi

Phys. Chem. Chem. Phys., 2019, 21, 24867 DOI:10.1039/C9CP04368C

Controlled current confinement in interfaced 2D nanosensor for electrical identification of DNA

Fábio A. L. de Souza, Rodrigo G. Amorim, Wanderlã L. Scopel and Ralph H. Scheicher

Phys. Chem. Chem. Phys., 2019, 21, 24884 DOI:10.1039/C9CP03950C

A reaction density functional theory study of the solvent effect in prototype SN2 reactions in aqueous solution

Cheng Cai, Weiqiang Tang, Chongzhi Qiao, Peng Jiang, Changjie Lu, Shuangliang Zhao and Honglai Liu

Phys. Chem. Chem. Phys., 2019, 21, 24876 DOI:10.1039/C9CP03888D


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