Ab initio modeling of Fe(II) adsorption and interfacial electron transfer at goethite (α-FeOOH) surfaces.

作者: Vitaly Alexandrov , Kevin M. Rosso

DOI: 10.1039/C5CP00921A

关键词:

摘要: Goethite (α-FeOOH) surfaces represent one of the most ubiquitous redox-active interfaces in the environment, playing an important role in biogeochemical metal cycling and …

参考文章(54)
Benedict Russell, Mike Payne, Lucio Colombi Ciacchi, Density functional theory study of Fe(II) adsorption and oxidation on goethite surfaces Physical Review B. ,vol. 79, pp. 165101- ,(2009) , 10.1103/PHYSREVB.79.165101
Sebastien Kerisit, Piotr Zarzycki, Kevin M. Rosso, Computational Molecular Simulation of the Oxidative Adsorption of Ferrous Iron at the Hematite (001)–Water Interface Journal of Physical Chemistry C. ,vol. 119, pp. 9242- 9252 ,(2015) , 10.1021/JP512422H
Sebastien Kerisit, Kevin M. Rosso, Computer simulation of electron transfer at hematite surfaces Geochimica et Cosmochimica Acta. ,vol. 70, pp. 1888- 1903 ,(2006) , 10.1016/J.GCA.2005.12.021
Marek Kosmulski, Edward Ma̧czka, None, Dilatometric study of the adsorption of heavy-metal cations on goethite. Langmuir. ,vol. 20, pp. 2320- 2323 ,(2004) , 10.1021/LA0356957
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, A. P. Sutton, Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study Physical Review B. ,vol. 57, pp. 1505- 1509 ,(1998) , 10.1103/PHYSREVB.57.1505
Robert M. Handler, Andrew J. Frierdich, Clark M. Johnson, Kevin M. Rosso, Brian L. Beard, Chongmin Wang, Drew E. Latta, Anke Neumann, Timothy Pasakarnis, W. A. P. J. Premaratne, Michelle M. Scherer, Fe(II)-catalyzed recrystallization of goethite revisited. Environmental Science & Technology. ,vol. 48, pp. 11302- 11311 ,(2014) , 10.1021/ES503084U
Katrin Otte, Wolfgang W. Schmahl, Rossitza Pentcheva, Density functional theory study of water adsorption on FeOOH surfaces Surface Science. ,vol. 606, pp. 1623- 1632 ,(2012) , 10.1016/J.SUSC.2012.07.009
Chan Lan Chun, Donald R. Baer, Dean W. Matson, James E. Amonette, R. Lee Penn, Characterization and Reactivity of Iron Nanoparticles prepared with added Cu, Pd, and Ni Environmental Science & Technology. ,vol. 44, pp. 5079- 5085 ,(2010) , 10.1021/ES903278E