Pt4 Clusters Supported on Monolayer Graphitic Carbon Nitride Sheets for Oxygen Adsorption: A First-Principles Study

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201603032 ◽

2016 ◽

Vol 32 (5) ◽

pp. 1183-1190 ◽

Author(s):

Hui-Wen ZUO ◽

◽

Chun-Hai LU ◽

Yu-Rong REN ◽

Yi LI ◽

...

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Oxygen Adsorption ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study

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First-Principles Study of the Adsorption of Water on Tri-s-triazine-based Graphitic Carbon Nitride

Japanese Journal of Applied Physics ◽

10.1143/jjap.49.115703 ◽

2010 ◽

Vol 49 (11) ◽

pp. 115703 ◽

Author(s):

Susan Meñez Aspera ◽

Melanie David ◽

Hideaki Kasai

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study ◽

Adsorption Of Water

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Single Boron Atom Anchored on Graphitic Carbon Nitride Nanosheet (B/g-C2N) as A Photocatalyst for Nitrogen Fixation: A First-Principles Study

Chinese Physics B ◽

10.1088/1674-1056/abe3f6 ◽

2021 ◽

Author(s):

Hao-Ran Zhu ◽

Jia-Liang Chen ◽

Shi-Hao Wei

Keyword(s):

Nitrogen Fixation ◽

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study

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Metal-doped graphitic carbon nitride (g-C3N4) as selective NO2 sensors: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2018.06.034 ◽

2018 ◽

Vol 455 ◽

pp. 1116-1122 ◽

Author(s):

Hong-ping Zhang ◽

Aijun Du ◽

Neha S. Gandhi ◽

Yan Jiao ◽

Yaping Zhang ◽

...

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study ◽

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A first-principles study of lithium and sodium storage in two-dimensional graphitic carbon nitride

New Carbon Materials ◽

10.1016/s1872-5805(18)60353-1 ◽

2018 ◽

Vol 33 (6) ◽

pp. 510-515 ◽

Author(s):

Meng-yao Wang ◽

Jia Li

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

Two Dimensional ◽

First Principles Study ◽

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Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property

Nanoscale Research Letters ◽

10.1186/1556-276x-6-97 ◽

2011 ◽

Vol 6 (1) ◽

Author(s):

Hui Pan ◽

Yong-Wei Zhang ◽

Vivek B Shenoy ◽

Huajian Gao

Keyword(s):

Magnetic Property ◽

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study

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First-principles study on hydrogen storage by graphitic carbon nitride nanotubes

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2011.11.109 ◽

2012 ◽

Vol 37 (5) ◽

pp. 4170-4178 ◽

Author(s):

Guangyong Koh ◽

Yong-Wei Zhang ◽

Hui Pan

Keyword(s):

Hydrogen Storage ◽

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study

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A first-principles study of lithium and sodium storage in two-dimensional graphitic carbon nitride

Carbon ◽

10.1016/j.carbon.2018.12.069 ◽

2019 ◽

Vol 145 ◽

pp. 772

Author(s):

Meng-yao Wang ◽

Jia Li

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

Two Dimensional ◽

First Principles Study ◽

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A first-principles study on the interaction of CO molecules with VIII transition metals-embedded graphitic carbon nitride as an excellent candidate for CO sensor

Physics Letters A ◽

10.1016/j.physleta.2019.05.013 ◽

2019 ◽

Vol 383 (21) ◽

pp. 2472-2480 ◽

Author(s):

Hadi Basharnavaz ◽

Aziz Habibi-Yangjeh ◽

Seyed Hossein Kamali

Keyword(s):

Transition Metals ◽

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

First Principles Study ◽

Excellent Candidate ◽

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Graphitic Carbon Nitride Nanotubes As Li-Ion Battery Materials: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/jp4122722 ◽

2014 ◽

Vol 118 (18) ◽

pp. 9318-9323 ◽

Author(s):

Hui Pan

Keyword(s):

First Principles ◽

Carbon Nitride ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

Li Ion Battery ◽

Battery Materials ◽

First Principles Study ◽

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Adjustable electronic performances and redox ability of a g-C3N4 monolayer by adsorbing nonmetal solute ions: a first principles study

Journal of Materials Chemistry A ◽

10.1039/c6ta06628c ◽

2016 ◽

Vol 4 (38) ◽

pp. 14827-14838 ◽

Author(s):

S. Lu ◽

Z. W. Chen ◽

C. Li ◽

H. H. Li ◽

Y. F. Zhao ◽

...

Keyword(s):

Water Splitting ◽

Chemical Bond ◽

First Principles ◽

Carbon Nitride ◽

Hydrogen Generation ◽

Graphitic Carbon ◽

Graphitic Carbon Nitride ◽

Photocatalytic Water Splitting ◽

First Principles Study ◽

During the process of hydrogen generation via photocatalytic water splitting, solute ions may be adsorbed on the surface of the graphitic carbon nitride (g-C3N4) monolayer, modifying its electronic and optical performances, as well as its redox ability due to chemical bond relaxation.

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