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51

Molecular Dynamics Study of the Electrical Double Layer at Silver Chloride−Electrolyte Interfaces

Zarzycki, Piotr, Kerisit, Sebastien, Rosso, Kevin M.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 5.14 MB

english, 2010

52

Effect of Chemical Lithium Insertion into Rutile TiO 2 Nanorods

Vijayakumar, M., Kerisit, Sebastien, Wang, Chongmin, Nie, Zimin, Rosso, Kevin M., Yang, Zhenguo, Graff, Gordon, Liu, Jun, Hu, Jianzhi

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.33 MB

english, 2009

53

Molecular Dynamics Study of Fe(II) Adsorption, Electron Exchange, and Mobility at Goethite (α-FeOOH) Surfaces

Zarzycki, Piotr, Kerisit, Sebastien, Rosso, Kevin M.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.90 MB

english, 2015

54

Pore-Scale Process Coupling and Effective Surface Reaction Rates in Heterogeneous Subsurface Materials

Liu, Chongxuan, Liu, Yuanyuan, Kerisit, Sebastien, Zachara, John

Journal:

Reviews in Mineralogy and Geochemistry

Year:

2015

Language:

english

File:

PDF, 746 KB

english, 2015

55

Monte Carlo simulation of the corrosion of irradiated simplified nuclear waste glasses

Jan, Amreen, Delaye, Jean-Marc, Gin, Stéphane, Kerisit, Sebastien

Journal:

Journal of Non-Crystalline Solids

Year:

2019

Language:

english

File:

PDF, 1.98 MB

english, 2019

56

Effect of Hydrophilicity and Interfacial Water Structure on Particle Attachment

Kerisit, Sebastien N., De Yoreo, James J.

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 3.51 MB

2020

57

Mechanistic insight into biopolymer induced iron oxide mineralization through quantification of molecular bonding

Sand, Karina Krarup, Jelavic, Stanislav, DobberschÃ¼tz, SÃ¶ren, Ashby, Paul D, Marshall, Matthew J, Dideriksen, Knud, Stipp, Susan L.S., Kerisit, Sebastien, Friddle, Ray, De Yoreo, James

Journal:

Nanoscale Advances

Year:

2020

File:

PDF, 1.60 MB

2020

58

Computer simulation of electron transfer at hematite surfaces

Sebastien Kerisit, Kevin M. Rosso

Journal:

Geochimica et Cosmochimica Acta

Year:

2006

Language:

english

File:

PDF, 555 KB

english, 2006

59

Scale-dependent rates of uranyl surface complexation reaction in sediments

Liu, Chongxuan, Shang, Jianying, Kerisit, Sebastien, Zachara, John M., Zhu, Weihuang

Journal:

Geochimica et Cosmochimica Acta

Year:

2013

Language:

english

File:

PDF, 1.48 MB

english, 2013

60

Kinetic Monte Carlo Study of Ambipolar Lithium Ion and Electron–Polaron Diffusion into Nanostructured TiO 2

Yu, Jianguo, Sushko, Maria L., Kerisit, Sebastien, Rosso, Kevin M., Liu, Jun

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 2.32 MB

english, 2012

61

Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction

Zachara, John, Brantley, Sue, Chorover, Jon, Ewing, Robert, Kerisit, Sebastien, Liu, Chongxuan, Perfect, Edmund, Rother, Gernot, Stack, Andrew

Journal:

Environmental Science & Technology

Year:

2016

Language:

english

File:

PDF, 2.66 MB

english, 2016

62

Molecular Simulation of Cesium Adsorption at the Basal Surface Of Phyllosilicate Minerals

Kerisit, Sebastien, Okumura, Masahiko, Rosso, KevinM., Machida, Masahiko

Journal:

Clays and Clay Minerals

Year:

2016

Language:

english

File:

PDF, 1.92 MB

english, 2016

63

Computational methods for intramolecular electron transfer in a ferrous–ferric iron complex

Piotr Zarzycki, Sebastien Kerisit, Kevin Rosso

Journal:

Journal of Colloid and Interface Science

Year:

2011

Language:

english

File:

PDF, 1.37 MB

english, 2011

64

Monte Carlo simulations of the dissolution of borosilicate glasses in near-equilibrium conditions

Sebastien Kerisit, Eric M. Pierce

Journal:

Journal of Non-Crystalline Solids

Year:

2012

Language:

english

File:

PDF, 1.21 MB

english, 2012

65

Combined 6,7 Li NMR and Molecular Dynamics Study of Li Diffusion in Li 2 TiO 3

Vijayakumar, M., Kerisit, Sebastien, Yang, Zhenguo, Graff, Gordon L., Liu, Jun, Sears, Jesse A., Burton, Sarah D., Rosso, Kevin M., Hu, Jianzhi

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 2.48 MB

english, 2009

66

Shell Model for Atomistic Simulation of Lithium Diffusion in Mixed Mn/Ti Oxides

Kerisit, Sebastien, Chaka, Anne M., Droubay, Timothy C., Ilton, Eugene S.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 966 KB

english, 2014

67

Molecular Dynamics Simulations of Electrolyte Solutions at the (100) Goethite Surface

Kerisit, Sebastien, Ilton, Eugene S., Parker, Stephen C.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 663 KB

english, 2006

68

Computational Molecular Simulation of the Oxidative Adsorption of Ferrous Iron at the Hematite (001)–Water Interface

Kerisit, Sebastien, Zarzycki, Piotr, Rosso, Kevin M.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 600 KB

english, 2015

69

Size and Morphology Controlled Synthesis of Boehmite Nanoplates and Crystal Growth Mechanisms

Zhang, Xin, Cui, Wenwen, Page, Katharine, Pearce, Carolyn I., Bowden, Mark E., Graham, Trent R., Shen, Zhizhang, Li, Ping, Wang, Zheming, Kerisit, Sebastien, N'Diaye, Alpha T., Clark, Sue B., Rosso, K

Journal:

Crystal Growth & Design

Year:

2018

Language:

english

File:

PDF, 7.71 MB

english, 2018

70

Modelling inorganic solids and their interfaces: A combined approach of atomistic and electronic structure simulation techniques

Parker, Stephen C., Kerisit, Sebastien, Marmier, Arnaud, Grigoleit, Sonja, Watson, Graeme W.

Journal:

Faraday Discussions

Year:

2003

Language:

english

File:

PDF, 1.05 MB

english, 2003

71

Dynamics of Coupled Lithium/Electron Diffusion in TiO 2 Polymorphs

Kerisit, Sebastien, Rosso, Kevin M., Yang, Zhenguo, Liu, Jun

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.77 MB

english, 2009

72

Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data

Fenter, Paul, Kerisit, Sebastien, Raiteri, Paolo, Gale, Julian D.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.17 MB

english, 2013

73

Kinetics and mechanisms of cadmium carbonate heteroepitaxial growth at the calcite surface

Xu, Man, Kovarik, Libor, Arey, Bruce W., Felmy, Andrew R., Rosso, Kevin M., Kerisit, Sebastien

Journal:

Geochimica et Cosmochimica Acta

Year:

2014

Language:

english

File:

PDF, 3.04 MB

english, 2014

74

Molecular dynamics simulations of the interaction between the surfaces of polar solids and aqueous solutions

Spagnoli, Dino, Cooke, David J., Kerisit, Sebastien, Parker, Stephen C.

Journal:

Journal of Materials Chemistry

Year:

2006

Language:

english

File:

PDF, 750 KB

english, 2006

75

Modeling Interfacial Glass-Water Reactions: Recent Advances and Current Limitations

Pierce, Eric M., Frugier, Pierre, Criscenti, Louise J., Kwon, Kideok D., Kerisit, Sebastien N.

Journal:

International Journal of Applied Glass Science

Year:

2014

Language:

english

File:

PDF, 1012 KB

english, 2014

76

Electronic response of aluminum-bearing minerals

Prange, Micah P., Zhang, Xin, Ilton, Eugene S., Kovarik, Libor, Engelhard, Mark H., Kerisit, Sebastien N.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.04 MB

english, 2018

77

From HADES to PARADISE—atomistic simulation of defects in minerals

Parker, Stephen C, Cooke, David J, Kerisit, Sebastien, Marmier, Arnaud S, Taylor, Sarah L, Taylor, Stuart N

Journal:

Journal of Physics Condensed Matter

Year:

2004

Language:

english

File:

PDF, 584 KB

english, 2004

78

Ab Initio Surface Phase Diagram of the {101̄4} Calcite Surface

Kerisit, Sebastien, Marmier, Arnaud, Parker, Stephen C.

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 137 KB

english, 2005

79

Ion-Exchange Interdiffusion Model with Potential Application to Long-Term Nuclear Waste Glass Performance

Neeway, James Joseph, Kerisit, Sebastien N., Liu, Jia, Zhang, Jiandong, Zhu, Zihua, Riley, Brian Joseph, Ryan, Joseph Vincent

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.23 MB

english, 2016

80

calcite-water interface

Xu, Man, Riechers, Shawn L., Ilton, Eugene S., Du, Yingge, Kovarik, Libor, Varga, Tamas, Arey, Bruce W., Qafoku, Odeta, Kerisit, Sebastien

Journal:

Chemical Geology

Year:

2017

Language:

english

File:

PDF, 2.15 MB

english, 2017

81

Water structure at hematite–water interfaces

Sebastien Kerisit

Journal:

Geochimica et Cosmochimica Acta

Year:

2011

Language:

english

File:

PDF, 1.72 MB

english, 2011

82

First-principles search for efficient activators for LaI3

Wu, Dangxin, Prange, Micah P., Gao, Fei, Kerisit, Sebastien

Journal:

Journal of Luminescence

Year:

2016

Language:

english

File:

PDF, 2.73 MB

english, 2016

83

Adaptation of the GRAAL model of Glass Reactivity to accommodate non-linear diffusivity

Rieke, Peter C., Kerisit, Sebastien, Ryan, Joseph V., Neeway, James J.

Journal:

Journal of Nuclear Materials

Year:

2018

Language:

english

File:

PDF, 2.92 MB

english, 2018

84

Atomistic simulation of the free energies of dissolution of ions from flat and stepped calcite surfaces

Dino Spagnoli, Sebastien Kerisit, Stephen C. Parker

Journal:

Journal of Crystal Growth

Year:

2006

Language:

english

File:

PDF, 452 KB

english, 2006

85

Trapping of Holes and Excitons in Scintillators: CsI and ${\rm LaX}_{3}$ ( ${\rm X}={\rm Cl}$, Br)

Van Ginhoven, Renee M., Jaffe, John E., Kerisit, Sebastien, Rosso, Kevin M.

Journal:

IEEE Transactions on Nuclear Science

Year:

2010

Language:

english

File:

PDF, 360 KB

english, 2010

86

Solvation structure and transport properties of alkali cations in dimethyl sulfoxide under exogenous static electric fields

Kerisit, Sebastien, Vijayakumar, M., Han, Kee Sung, Mueller, Karl T.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.16 MB

english, 2015

87

Nucleation and Epitaxy-Mediated Phase Transformation of a Precursor Cadmium Carbonate Phase at the Calcite/Water Interface

Riechers, Shawn L., Rosso, Kevin M., Kerisit, Sebastien N.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 4.99 MB

english, 2017

88

Immobilizing Pertechnetate in Ettringite via Sulfate Substitution

Saslow, Sarah A., Kerisit, Sebastien N., Varga, Tamas, Mergelsberg, Sebastian T, Corkhill, Claire, Snyder, Michelle M. V., Avalos, Nancy, Yorkshire, Antonia S., Bailey, Daniel J, Crum, Jarrod, Asmusse

Journal:

Environmental Science & Technology

Year:

2020

File:

PDF, 900 KB

2020

89

Structure, Kinetics, and Thermodynamics of the Aqueous Uranyl(VI) Cation

Kerisit, Sebastien, Liu, Chongxuan

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.99 MB

english, 2013

90

Kinetic Monte Carlo model of charge transport in hematite (α-Fe[sub 2]O[sub 3])

Kerisit, Sebastien, Rosso, Kevin M.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 793 KB

english, 2007

91

Computer simulation of the light yield nonlinearity of inorganic scintillators

Kerisit, Sebastien, Rosso, Kevin M., Cannon, Bret D., Gao, Fei, Xie, YuLong

Journal:

Journal of Applied Physics

Year:

2009

Language:

english

File:

PDF, 862 KB

english, 2009

92

Molecular Simulations of Water and Ion Diffusion in Nanosized Mineral Fractures

Kerisit, Sebastien, Liu, Chongxuan

Journal:

Environmental Science & Technology

Year:

2009

Language:

english

File:

PDF, 237 KB

english, 2009

93

Molecular Dynamics Simulations of Uranyl and Uranyl Carbonate Adsorption at Aluminosilicate Surfaces

Kerisit, Sebastien, Liu, Chongxuan

Journal:

Environmental Science & Technology

Year:

2014

Language:

english

File:

PDF, 3.24 MB

english, 2014

94

Bond-Valence Constraints on Liquid Water Structure

Bickmore, Barry R., Rosso, Kevin M., Brown, I. David, Kerisit, Sebastien

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.07 MB

english, 2009

95

Heterogeneous growth of cadmium and cobalt carbonate phases at the

Xu, Man, Ilton, Eugene S., Engelhard, Mark H., Qafoku, Odeta, Felmy, Andrew R., Rosso, Kevin M., Kerisit, Sebastien

Journal:

Chemical Geology

Year:

2015

Language:

english

File:

PDF, 3.02 MB

english, 2015

96

Nanostructures and lithium electrochemical reactivity of lithium titanites and titanium oxides: A review

Zhenguo Yang, Daiwon Choi, Sebastien Kerisit, Kevin M. Rosso, Donghai Wang, Jason Zhang, Gordon Graff, Jun Liu

Journal:

Journal of Power Sources

Year:

2009

Language:

english

File:

PDF, 2.73 MB

english, 2009

97

SPIE Proceedings [SPIE SPIE Optical Engineering + Applications - San Diego, California, United States (Sunday 17 August 2014)] Hard X-Ray, Gamma-Ray, and Neutron Detector Physics XVI - Radiation response of inorganic scintillators: insights from Monte Carlo simulations

Burger, Arnold, Franks, Larry, James, Ralph B., Fiederle, Michael, Prange, Micah, Wu, Dangxin, Xie, Yulong, Campbell, Luke W., Gao, Fei, Kerisit, Sebastien

Year:

2014

Language:

english

File:

PDF, 4.13 MB

english, 2014

98

XPS determination of Mn oxidation states in Mn (hydr)oxides

Ilton, Eugene S., Post, Jeffrey E., Heaney, Peter J., Ling, Florence T., Kerisit, Sebastien N.

Journal:

Applied Surface Science

Year:

2016

Language:

english

File:

PDF, 1.37 MB

english, 2016

99

Emerging investigator series: ion diffusivities in nanoconfined interfacial water films contribute to mineral carbonation thresholds

Miller, Quin R. S., Kaszuba, John P., Kerisit, Sebastien N., Schaef, H. Todd, Bowden, Mark E., McGrail, B. Peter, Rosso, Kevin M.

Journal:

Environmental Science: Nano

Year:

2020

File:

PDF, 2.99 MB

2020

100

Low temperature and limited water activity reveal a pathway to magnesite via amorphous magnesium carbonate

Mergelsberg, Sebastian T., Kerisit, Sebastien N., Ilton, Eugene S., Qafoku, Odeta, Thompson, Christopher J., Loring, John S.

Journal:

Chemical Communications

Year:

2020

File:

PDF, 2.56 MB

2020

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