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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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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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 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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Surface relaxation and oxygen adsorption behavior of different SiC polytypes: a first-principles study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/22/26/265003 ◽

2010 ◽

Vol 22 (26) ◽

pp. 265003 ◽

Cited By ~ 12

Author(s):

Junjie Wang ◽

Litong Zhang ◽

Qingfeng Zeng ◽

Gérard L Vignoles ◽

Laifei Cheng

Keyword(s):

First Principles ◽

Oxygen Adsorption ◽

Adsorption Behavior ◽

Surface Relaxation ◽

First Principles Study

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First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2020.113043 ◽

2020 ◽

Vol 1191 ◽

pp. 113043 ◽

Cited By ~ 2

Author(s):

Sidra Khan ◽

Muhammad Yar ◽

Naveen Kosar ◽

Khurshid Ayub ◽

Muhammad Arshad ◽

...

Keyword(s):

First Principles ◽

Nerve Agents ◽

Adsorption Behavior ◽

First Principles Study

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Adsorption behavior and electronic properties of Pdn(n≤ 10) clusters on silicon carbide nanotubes: a first-principles study

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/25/8/085302 ◽

2013 ◽

Vol 25 (8) ◽

pp. 085302 ◽

Cited By ~ 1

Author(s):

Jianguang Wang ◽

Li Ma ◽

Guanghou Wang

Keyword(s):

Silicon Carbide ◽

Electronic Properties ◽

First Principles ◽

Adsorption Behavior ◽

First Principles Study ◽

Silicon Carbide Nanotubes

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A first-principles study of the adsorption behavior of CO on Al- and Ga-doped single-walled BN nanotubes

Applied Surface Science ◽

10.1016/j.apsusc.2012.12.008 ◽

2013 ◽

Vol 270 ◽

pp. 25-32 ◽

Cited By ~ 104

Author(s):

Ali Ahmadi Peyghan ◽

Alireza Soltani ◽

Amin Allah Pahlevani ◽

Yaser Kanani ◽

Soheila Khajeh

Keyword(s):

First Principles ◽

Adsorption Behavior ◽

First Principles Study ◽

Bn Nanotubes

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Adsorption behavior of Cu-doped ZIF-67 for decomposition gases of organic insulator: A first-principles study

Journal of Physics Conference Series ◽

10.1088/1742-6596/1754/1/012033 ◽

2021 ◽

Vol 1754 (1) ◽

pp. 012033

Author(s):

Song Li ◽

Xiao Wei ◽

Shiping Zhu ◽

Qu Zhou ◽

Yingang Gui

Keyword(s):

First Principles ◽

Adsorption Behavior ◽

First Principles Study

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Investigation of NH 3 adsorption behavior on graphdiyne nanosheet and nanotubes: A first-principles study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.11.007 ◽

2018 ◽

Vol 249 ◽

pp. 24-32 ◽

Cited By ~ 38

Author(s):

V. Nagarajan ◽

R. Chandiramouli

Keyword(s):

First Principles ◽

Adsorption Behavior ◽

First Principles Study

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First-principles study of the adsorption behavior of Octyl-β-D-xyloside surfactant on pristine Al12N12 and B12N12 nanocages

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131360 ◽

2021 ◽

pp. 131360

Author(s):

Hossein Khalafi ◽

Sara Ahmadi ◽

Zahrabatoul Mosapour Kotena

Keyword(s):

First Principles ◽

Adsorption Behavior ◽

First Principles Study

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