Bulk and key surface structures of hematite, magnetite, and goethite: A density functional theory study

G. J. Martin; R. S. Cutting; D. J. Vaughan; M. C. Warren

doi:10.2138/am.2009.3029

Bulk and key surface structures of hematite, magnetite, and goethite: A density functional theory study

American Mineralogist ◽

10.2138/am.2009.3029 ◽

2009 ◽

Vol 94 (10) ◽

pp. 1341-1350 ◽

Cited By ~ 41

Author(s):

G. J. Martin ◽

R. S. Cutting ◽

D. J. Vaughan ◽

M. C. Warren

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Surface Structures ◽

Density Functional Theory Study ◽

Functional Theory

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Surface structures of Fe3O4 (111), (110), and (001): A density functional theory study

Journal of Fuel Chemistry and Technology ◽

10.1016/s1872-5813(10)60024-2 ◽

2010 ◽

Vol 38 (1) ◽

pp. 121-128 ◽

Cited By ~ 32

Author(s):

Tao YANG ◽

Xiao-dong WEN ◽

Jun REN ◽

Yong-wang LI ◽

Jian-guo WANG ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Surface Structures ◽

Density Functional Theory Study ◽

Functional Theory

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Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study

Journal of Catalysis ◽

10.1016/j.jcat.2013.05.027 ◽

2013 ◽

Vol 305 ◽

pp. 264-276 ◽

Cited By ~ 135

Author(s):

Bo Yang ◽

Robbie Burch ◽

Christopher Hardacre ◽

Gareth Headdock ◽

P. Hu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Surface Structures ◽

Density Functional Theory Study ◽

Surface Alloying ◽

Functional Theory ◽

Acetylene Hydrogenation

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Influence of a ZrO2 Support and Its Surface Structures on the Stability and Nucleation of Ptn (n = 1–5) Clusters: A Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.7b00017 ◽

2017 ◽

Vol 121 (9) ◽

pp. 2132-2141 ◽

Cited By ~ 13

Author(s):

Yanxin Wang ◽

Hongwei Gao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Surface Structures ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Stability

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Surface Structures of CaFe2O4 (001), (100), (110) and (111): A Density Functional Theory Study

ISIJ International ◽

10.2355/isijinternational.isijint-2020-541 ◽

2021 ◽

Author(s):

Zhigang Que

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Surface Structures ◽

Density Functional Theory Study ◽

Functional Theory

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

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