Tetragonality of carbon-doped ferromagnetic iron alloys: A first-principles study

Physical Review B ◽

10.1103/physrevb.85.014112 ◽

2012 ◽

Vol 85 (1) ◽

Author(s):

N. Al-Zoubi ◽

N. V. Skorodumova ◽

A. Medvedeva ◽

J. Andersson ◽

G. Nilson ◽

...

Keyword(s):

First Principles ◽

Iron Alloys ◽

Carbon Doped ◽

First Principles Study ◽

Ferromagnetic Iron

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First-principles study of hydrogen interaction with carbon-doped GaN nanotube

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2010.06.023 ◽

2010 ◽

Vol 956 (1-3) ◽

pp. 77-82 ◽

Author(s):

Guo-Xiang Chen ◽

Yan Zhang ◽

Dou-Dou Wang ◽

Jian-Min Zhang

Keyword(s):

First Principles ◽

Carbon Doped ◽

First Principles Study ◽

Hydrogen Interaction

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Adsorption of NH3 and NO2 molecules on the carbon doped C3N monolayer: A first principles study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2020.113075 ◽

2021 ◽

Vol 1195 ◽

pp. 113075

Author(s):

Yuping Lv ◽

Yaojie Wang ◽

Haiming Zhang ◽

Chunfeng Dai

Keyword(s):

First Principles ◽

Carbon Doped ◽

First Principles Study

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A first-principles study aided with Monte Carlo simulations of carbon doped iron-manganese alloys

The European Physical Journal B ◽

10.1140/epjb/e2012-30321-x ◽

2012 ◽

Vol 85 (10) ◽

Author(s):

D. Comtesse ◽

H. C. Herper ◽

A. Hucht ◽

P. Entel

Keyword(s):

Monte Carlo ◽

Monte Carlo Simulations ◽

First Principles ◽

Carbon Doped ◽

First Principles Study ◽

Manganese Alloys ◽

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Carbon-doped ZnO nanotube-based highly effective hydrogen gas sensor: A first-principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2020.03.050 ◽

2020 ◽

Vol 45 (27) ◽

pp. 14174-14182 ◽

Author(s):

Shima Rezaie ◽

Zohreh Golshan Bafghi ◽

Negin Manavizadeh

Keyword(s):

First Principles ◽

Hydrogen Gas ◽

Carbon Doped ◽

First Principles Study ◽

Zno Nanotube ◽

Highly Effective ◽

Doped Zno ◽

Effective Hydrogen

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A simple capacitor model and first-principles study of carbon-doped zigzag ZnO nanoribbons

Solid State Communications ◽

10.1016/j.ssc.2011.12.035 ◽

2012 ◽

Vol 152 (6) ◽

pp. 534-539 ◽

Author(s):

Yanzong Wang ◽

Baolin Wang ◽

Qinfang Zhang ◽

Daning Shi ◽

Seiji Yunoki ◽

...

Keyword(s):

First Principles ◽

Carbon Doped ◽

First Principles Study

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Magnetic Property of Carbon Doped ZnO and X-ray Magnetic Circular Dichroism: A First Principles Study

Journal of the Korean Physical Society ◽

10.3938/jkps.56.1446 ◽

2010 ◽

Vol 56 (5) ◽

pp. 1446-1450 ◽

Author(s):

jisang hong ◽

Dongyoo Kim

Keyword(s):

Magnetic Property ◽

Circular Dichroism ◽

First Principles ◽

Magnetic Circular Dichroism ◽

X Ray ◽

Carbon Doped ◽

First Principles Study ◽

Doped Zno ◽

Circular Dichroïsm

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First-principles study of the electronic structure and the associated magnetism of carbon-doped TiO2

physica status solidi (RRL) - Rapid Research Letters ◽

10.1002/pssr.200701187 ◽

2007 ◽

Vol 1 (5) ◽

pp. 217-219 ◽

Author(s):

Q. K. Li ◽

B. Wang ◽

Y. Zheng ◽

Q. Wang ◽

H. Wang

Keyword(s):

Electronic Structure ◽

First Principles ◽

Carbon Doped ◽

First Principles Study

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Grain Boundary Decohesion by Sulfur Segregation in Ferromagnetic Iron and Nickel —A First-Principles Study—

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.47.2682 ◽

2006 ◽

Vol 47 (11) ◽

pp. 2682-2689 ◽

Author(s):

Masatake Yamaguchi ◽

Motoyuki Shiga ◽

Hideo Kaburaki

Keyword(s):

Grain Boundary ◽

First Principles ◽

Sulfur Segregation ◽

First Principles Study ◽

Ferromagnetic Iron ◽

Grain Boundary Decohesion

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First-principles study of interaction energies of atomic defects in bcc ferromagnetic iron

Physical Review B ◽

10.1103/physrevb.98.144104 ◽

2018 ◽

Vol 98 (14) ◽

Author(s):

E. Akshaya Devi ◽

Ravi Chinnappan ◽

C. S. Sundar

Keyword(s):

First Principles ◽

Interaction Energies ◽

First Principles Study ◽

Ferromagnetic Iron

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First-principles study of configurations, electronic and photocatalytic properties of carbon-doped anatase TiO2

Physica B Condensed Matter ◽

10.1016/j.physb.2021.413443 ◽

2021 ◽

pp. 413443

Author(s):

Xiufeng Lang ◽

Xiaoxu Liu ◽

Jiahui Xue ◽

Donghao Li ◽

Liqin Cao ◽

...

Keyword(s):

First Principles ◽

Anatase Tio2 ◽

Photocatalytic Properties ◽

Carbon Doped ◽

First Principles Study

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