Adsorption behavior of B-doped/N-doped graphene sheets toward NO2 , NO and NH3 molecules: A first-principles study

physica status solidi (c) ◽

10.1002/pssc.201600110 ◽

2016 ◽

Cited By ~ 3

Author(s):

Yin Wang ◽

Jinghua Chen ◽

Xintang Huang

Keyword(s):

First Principles ◽

Adsorption Behavior ◽

Graphene Sheets ◽

First Principles Study ◽

Doped Graphene

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First-principles study of Pt-film stability on doped graphene sheets

Surface Science ◽

10.1016/j.susc.2013.10.011 ◽

2014 ◽

Vol 621 ◽

pp. 7-15 ◽

Cited By ~ 8

Author(s):

Tae-uk Park ◽

Yoko Tomita ◽

Takashi Nakayama

Keyword(s):

First Principles ◽

Graphene Sheets ◽

Film Stability ◽

First Principles Study ◽

Doped Graphene

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A first-principles study on the adsorption behavior of amphetamine on pristine, P- and Al-doped B12N12 nano-cages

Superlattices and Microstructures ◽

10.1016/j.spmi.2013.09.034 ◽

2013 ◽

Vol 64 ◽

pp. 265-273 ◽

Cited By ~ 27

Author(s):

Aidin Bahrami ◽

Shahram Seidi ◽

Tahmineh Baheri ◽

Mohammad Aghamohammadi

Keyword(s):

First Principles ◽

Adsorption Behavior ◽

First Principles Study

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N‐doped and P‐doped graphene on MgO (111): A first‐principles study

Advanced Engineering Materials ◽

10.1002/adem.202100762 ◽

2021 ◽

Author(s):

Dongbo Li ◽

Yinjie Shen ◽

Ping Yang

Keyword(s):

First Principles ◽

First Principles Study ◽

Doped Graphene

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First-principles study of B, C, N and F doped graphene-like MgO monolayer

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2016.02.009 ◽

2016 ◽

Vol 81 ◽

pp. 7-13 ◽

Cited By ~ 11

Author(s):

Ping Wu ◽

Min Huang ◽

Wenjing Cheng ◽

Fuling Tang

Keyword(s):

First Principles ◽

First Principles Study ◽

Doped Graphene

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Improving hydrogen evolution reaction performance by combining ditungsten carbide and nitrogen-doped graphene: A first-principles study

Carbon ◽

10.1016/j.carbon.2020.10.003 ◽

2021 ◽

Vol 172 ◽

pp. 122-131

Author(s):

Bo Zhang ◽

Xiuli Fu ◽

Li Song ◽

Xiaojun Wu

Keyword(s):

Hydrogen Evolution ◽

Hydrogen Evolution Reaction ◽

First Principles ◽

Nitrogen Doped ◽

First Principles Study ◽

Nitrogen Doped Graphene ◽

Doped Graphene ◽

Reaction Performance

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Adsorption behavior of 5-fluorouracil on pristine, B-, Si-, and Al-doped C60 fullerenes: A first-principles study

Physics Letters A ◽

10.1016/j.physleta.2016.01.020 ◽

2016 ◽

Vol 380 (7-8) ◽

pp. 937-941 ◽

Cited By ~ 60

Author(s):

Mehrnoosh Khodam Hazrati ◽

Nasser L. Hadipour

Keyword(s):

First Principles ◽

Adsorption Behavior ◽

First Principles Study ◽

C60 Fullerenes

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First-Principles Study on Nitrobenzene-Doped Graphene as a Metal-Free Electrocatalyst for Oxygen Reduction Reaction

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b02097 ◽

2016 ◽

Vol 120 (16) ◽

pp. 8804-8812 ◽

Cited By ~ 30

Author(s):

Menggai Jiao ◽

Wei Song ◽

Kai Li ◽

Ying Wang ◽

Zhijian Wu

Keyword(s):

Oxygen Reduction Reaction ◽

Oxygen Reduction ◽

First Principles ◽

Reduction Reaction ◽

Metal Free ◽

First Principles Study ◽

Doped Graphene

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Hydrogen storage on bare Cu atom and Cu-functionalized boron-doped graphene: A first principles study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2016.10.031 ◽

2017 ◽

Vol 42 (7) ◽

pp. 4233-4243 ◽

Cited By ~ 29

Author(s):

Omar Faye ◽

Ubong Eduok ◽

Jerzy Szpunar ◽

Barbara Szpunar ◽

Almoustapha Samoura ◽

...

Keyword(s):

Hydrogen Storage ◽

First Principles ◽

First Principles Study ◽

Boron Doped ◽

Doped Graphene

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First principles study of Al-doped graphene as nanostructure adsorbent for NO2 and N2O: DFT calculations

Applied Surface Science ◽

10.1016/j.apsusc.2015.09.168 ◽

2015 ◽

Vol 357 ◽

pp. 1217-1224 ◽

Cited By ~ 102

Author(s):

Ali Shokuhi Rad

Keyword(s):

Dft Calculations ◽

First Principles ◽

First Principles Study ◽

Doped Graphene

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First-Principles Study of the Adsorption Behavior of Triptycene Molecular Tripods on Au(111): Site Selectivity and Unambiguous Molecular Orientation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b00869 ◽

2019 ◽

Vol 123 (7) ◽

pp. 4401-4406 ◽

Cited By ~ 2

Author(s):

Tomofumi Tada ◽

Fumitaka Ishiwari ◽

Yoshiaki Shoji ◽

Takanori Fukushima

Keyword(s):

First Principles ◽

Molecular Orientation ◽

Adsorption Behavior ◽

First Principles Study ◽

Site Selectivity

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