Crystal structure, stability, and electronic properties of hydrated metal sulfates MSO4(H2O)n (M=Ni, Mg; n=6, 7) and their mixed phases: A first principles study

C Fang; X Lu; W Buijs; Z Fan; FE Genceli; MA van Huis; GJ Witkamp; TJH Vlugt

doi:10.1016/j.ces.2014.07.026

Crystal structure, stability, and electronic properties of hydrated metal sulfates MSO4(H2O)n (M=Ni, Mg; n=6, 7) and their mixed phases: A first principles study

C Fang, X Lu, W Buijs, Z Fan, FE Genceli, MA van Huis, GJ Witkamp, TJH Vlugt

Research output: Contribution to journal › Article › Scientific › peer-review

Original language	English
Pages (from-to)	77-86
Number of pages	10
Journal	Chemical Engineering Science
Volume	121
DOIs	https://doi.org/10.1016/j.ces.2014.07.026
Publication status	Published - 2015

Bibliographical note

Harvest
Available online 17 July 2014

Keywords

CWTS 0.75 <= JFIS < 2.00

Access to Document

10.1016/j.ces.2014.07.026

Cite this

@article{0e782e53af7044da8fa70c56b8f9007d,

title = "Crystal structure, stability, and electronic properties of hydrated metal sulfates MSO4(H2O)n (M=Ni, Mg; n=6, 7) and their mixed phases: A first principles study",

keywords = "CWTS 0.75 <= JFIS < 2.00",

author = "C Fang and X Lu and W Buijs and Z Fan and FE Genceli and {van Huis}, MA and GJ Witkamp and TJH Vlugt",

note = "Harvest Available online 17 July 2014",

year = "2015",

doi = "10.1016/j.ces.2014.07.026",

language = "English",

volume = "121",

pages = "77--86",

journal = "Chemical Engineering Science",

issn = "0009-2509",

publisher = "Elsevier",

}

TY - JOUR

T1 - Crystal structure, stability, and electronic properties of hydrated metal sulfates MSO4(H2O)n (M=Ni, Mg; n=6, 7) and their mixed phases: A first principles study

AU - Fang, C

AU - Lu, X

AU - Buijs, W

AU - Fan, Z

AU - Genceli, FE

AU - van Huis, MA

AU - Witkamp, GJ

AU - Vlugt, TJH

N1 - Harvest Available online 17 July 2014

PY - 2015

Y1 - 2015

KW - CWTS 0.75 <= JFIS < 2.00

U2 - 10.1016/j.ces.2014.07.026

DO - 10.1016/j.ces.2014.07.026

M3 - Article

SN - 0009-2509

VL - 121

SP - 77

EP - 86

JO - Chemical Engineering Science

JF - Chemical Engineering Science

ER -