First-Principles Study of the Adsorption and Depolymerization Mechanisms of Sodium Silicate on Iron Surfaces at High Temperature

Nam V. Tran; A. Kiet Tieu; Hongtao Zhu; Huong T. T. Ta; Thi D. Ta; Ha M. Le

doi:10.1021/acs.jpcc.8b06073

First-Principles Study of the Adsorption and Depolymerization Mechanisms of Sodium Silicate on Iron Surfaces at High Temperature

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b06073 ◽

2018 ◽

Vol 122 (36) ◽

pp. 20827-20840 ◽

Cited By ~ 7

Author(s):

Nam V. Tran ◽

A. Kiet Tieu ◽

Hongtao Zhu ◽

Huong T. T. Ta ◽

Thi D. Ta ◽

...

Keyword(s):

High Temperature ◽

Sodium Silicate ◽

First Principles ◽

First Principles Study

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First-principles study of structural, elastic, thermodynamic, electronic and optical properties of cubic boron nitride and hexagonal boron nitride at high temperature and high pressure

Acta Physica Sinica ◽

10.7498/aps.68.20182030 ◽

2019 ◽

Vol 68 (7) ◽

pp. 077102

Author(s):

Chang-Wei Lü ◽

Chen-Ju Wang ◽

Jian-Bing Gu

Keyword(s):

High Pressure ◽

Optical Properties ◽

High Temperature ◽

Boron Nitride ◽

First Principles ◽

Hexagonal Boron Nitride ◽

Cubic Boron Nitride ◽

Electronic And Optical Properties ◽

First Principles Study

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Experimental and first-principles study of the structure and dielectric response of the high-temperature quantum paraelectricLa1∕2Na1∕2TiO3

Physical Review B ◽

10.1103/physrevb.75.174107 ◽

2007 ◽

Vol 75 (17) ◽

Cited By ~ 12

Author(s):

Grégory Geneste ◽

Jean-Michel Kiat ◽

Charlotte Malibert ◽

Julienne Chaigneau

Keyword(s):

High Temperature ◽

First Principles ◽

Dielectric Response ◽

First Principles Study

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High temperature ferromagnetism in (Mn, Li)-codoped ZnO: First-principles study

2011 International Conference on Information Photonics and Optical Communications ◽

10.1109/ipoc.2011.6122849 ◽

2011 ◽

Author(s):

Shijia Ma ◽

Pengfei Lu ◽

Zhongyuan Yu ◽

Long Zhao ◽

Yue Shen

Keyword(s):

High Temperature ◽

First Principles ◽

First Principles Study

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Martensitic transformation of TiNiPd high-temperature shape memory alloys: A first-principles study

Physica B Condensed Matter ◽

10.1016/j.physb.2009.06.094 ◽

2009 ◽

Vol 404 (20) ◽

pp. 3662-3665 ◽

Cited By ~ 7

Author(s):

Changlong Tan ◽

Xiaohua Tian ◽

Wei Cai

Keyword(s):

High Temperature ◽

Martensitic Transformation ◽

Shape Memory Alloys ◽

Shape Memory ◽

First Principles ◽

First Principles Study

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First-principles study on oxidation effects in uranium oxides and high-pressure high-temperature behavior of point defects in uranium dioxide

Physical Review B ◽

10.1103/physrevb.84.174115 ◽

2011 ◽

Vol 84 (17) ◽

Cited By ~ 23

Author(s):

Hua Y. Geng ◽

Hong X. Song ◽

K. Jin ◽

S. K. Xiang ◽

Q. Wu

Keyword(s):

High Pressure ◽

High Temperature ◽

Point Defects ◽

Uranium Dioxide ◽

First Principles ◽

Temperature Behavior ◽

Uranium Oxides ◽

High Temperature Behavior ◽

First Principles Study ◽

High Pressure High Temperature

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First-principles study on structural, electronic, and ferroelectric properties of high-temperature RMn2O5 (R = Sm, Gd, Dy)

Materials Today Communications ◽

10.1016/j.mtcomm.2019.100837 ◽

2020 ◽

Vol 22 ◽

pp. 100837 ◽

Cited By ~ 1

Author(s):

Jian-Qing Dai ◽

Yong-Shen Lu ◽

Jin Yuan

Keyword(s):

High Temperature ◽

First Principles ◽

Ferroelectric Properties ◽

First Principles Study

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High-temperature shape memory loss in nitinol: a first principles study

Physical Chemistry Chemical Physics ◽

10.1039/c8cp07288d ◽

2019 ◽

Vol 21 (14) ◽

pp. 7508-7517 ◽

Cited By ~ 3

Author(s):

Adebayo A. Adeleke ◽

Yansun Yao

Keyword(s):

High Temperature ◽

Shape Memory ◽

First Principles ◽

Memory Loss ◽

First Principles Study

Smart alloy, NiTi, is predicted to lose its shape memory when deformed at 10 GPa and heated above 700 K.

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High-temperature oxidation resistance of the Ni60Ti alloy: An experimental and first-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2017.02.212 ◽

2017 ◽

Vol 706 ◽

pp. 297-304 ◽

Cited By ~ 4

Author(s):

Xiaoyong Shu ◽

Linli Hu ◽

Guifa Li ◽

Shiqiang Lu ◽

Kelu Wang ◽

...

Keyword(s):

High Temperature ◽

Oxidation Resistance ◽

First Principles ◽

High Temperature Oxidation ◽

Temperature Oxidation ◽

First Principles Study

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First-principles study of electronic transport and structural properties of Cu12Sb4S13 in its high-temperature phase

Physical Review Research ◽

10.1103/physrevresearch.2.033055 ◽

2020 ◽

Vol 2 (3) ◽

Cited By ~ 1

Author(s):

Cono Di Paola ◽

Francesco Macheda ◽

Savio Laricchia ◽

Cedric Weber ◽

Nicola Bonini

Keyword(s):

High Temperature ◽

Structural Properties ◽

Electronic Transport ◽

First Principles ◽

High Temperature Phase ◽

Temperature Phase ◽

First Principles Study

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First-principles study of optical, elastic anisotropic and thermodynamic properties of TiN under high temperature and high pressure

Condensed Matter Physics ◽

10.5488/cmp.20.23601 ◽

2017 ◽

Vol 20 (2) ◽

pp. 23601 ◽

Cited By ~ 1

Author(s):

Yang ◽

Zhu ◽

Wei ◽

Xiao ◽

Keyword(s):

High Pressure ◽

High Temperature ◽

Thermodynamic Properties ◽

First Principles ◽

First Principles Study

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