Effect of Intrinsic O Vacancy Defects on the Adsorption Properties of Formaldehyde on ZnO Surface: A Density Functional Theory Study

Six types of adsorption configurations, together with two different adsorption sites for NO adsorption on LaCoO3, were investigated via density functional theory.

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Density functional theory study of adsorption properties of non-carbon, carbon and functionalized graphene surfaces towards the zinc and lead atoms

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2018.08.010 ◽

2018 ◽

Vol 104 ◽

pp. 275-285 ◽

Cited By ~ 14

Author(s):

A. Hamed Mashhadzadeh ◽

M. Ghorbanzadeh Ahangari ◽

A. Salmankhani ◽

M. Fataliyan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Properties ◽

Functionalized Graphene ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of structural, electronic and CO adsorption properties of anionic Scn− (n = 2–13) clusters

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2019.112511 ◽

2019 ◽

Vol 1163 ◽

pp. 112511 ◽

Cited By ~ 3

Author(s):

Saira Sajjad ◽

Muhammad Ali Hashmi ◽

Tariq Mahmood ◽

Khurshid Ayub

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Co Adsorption ◽

Adsorption Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug

Adsorption ◽

10.1007/s10450-019-00056-y ◽

2019 ◽

Vol 26 (6) ◽

pp. 925-939 ◽

Cited By ~ 5

Author(s):

Maedeh Kamel ◽

Heidar Raissi ◽

Ali Morsali ◽

Kamal Mohammadifard

Keyword(s):

Density Functional Theory ◽

Anticancer Drug ◽

Density Functional ◽

Adsorption Properties ◽

Fe2o3 Nanoparticles ◽

Density Functional Theory Study ◽

Functional Theory

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Adsorption properties of NH3, NO, and O2 molecules over the FeO (100) and oxygen-defected FeO (100) surfaces: a density functional theory study

Molecular Physics ◽

10.1080/00268976.2020.1836413 ◽

2020 ◽

pp. e1836413

Author(s):

Chaoyue Xie ◽

Yunlan Sun ◽

Baozhong Zhu ◽

Weiyi Song ◽

Minggao Xu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Properties ◽

Density Functional Theory Study ◽

Functional Theory

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Strain and coordination effects in the adsorption properties of early transition metals: A density-functional theory study

Physical Review B ◽

10.1103/physrevb.81.033402 ◽

2010 ◽

Vol 81 (3) ◽

Cited By ~ 62

Author(s):

Sebastian Schnur ◽

Axel Groß

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Density Functional ◽

Adsorption Properties ◽

Density Functional Theory Study ◽

Functional Theory ◽

Early Transition

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Aluminum and Vacancy Defects on Electronic and Magnetic Properties of BN Sheet: A Density Functional Theory Study

Fullerenes Nanotubes and Carbon Nanostructures ◽

10.1080/1536383x.2013.787597 ◽

2014 ◽

Vol 23 (2) ◽

pp. 113-119 ◽

Cited By ~ 3

Author(s):

Smohammad Elahi ◽

Shahoo Valedbaigi

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Vacancy Defects ◽

Electronic And Magnetic Properties

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Correction: Adsorption properties of NO molecules on the hexagonal LaCoO3 (0 0 1) surface: a density functional theory study

RSC Advances ◽

10.1039/c8ra90059k ◽

2018 ◽

Vol 8 (45) ◽

pp. 25444-25444

Author(s):

Zhijie Liu ◽

Yanxin Wang ◽

Hongwei Gao

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Properties ◽

Density Functional Theory Study ◽

Functional Theory

Correction for ‘Adsorption properties of NO molecules on the hexagonal LaCoO3 (0 0 1) surface: a density functional theory study’ by Zhijie Liu et al., RSC Adv., 2017, 7, 34714–34721.

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Adsorption properties of trifluoroacetic acid on anatase (101) and (001) surfaces: a density functional theory study

Physical Chemistry Chemical Physics ◽

10.1039/c5cp03780h ◽

2015 ◽

Vol 17 (36) ◽

pp. 23627-23633 ◽

Cited By ~ 2

Author(s):

Oriol Lamiel-Garcia ◽

Daniel Fernandez-Hevia ◽

Amador C. Caballero ◽

Francesc Illas

Keyword(s):

Density Functional Theory ◽

Trifluoroacetic Acid ◽

Density Functional ◽

Growth Control ◽

Control Agent ◽

Adsorption Properties ◽

Density Functional Theory Study ◽

Functional Theory

Trifluoroacetic acid adsorbs preferentially on the TiO2(001) surface working as a growth control agent.

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Effect of Intrinsic O Vacancy Defects on the Adsorption Properties of Formaldehyde on ZnO Surface: A Density Functional Theory Study

Adsorption of NO on MoO3 (010) surface with different location of terminal oxygen vacancy defects: A density functional theory study

Adsorption properties of NO molecules on the hexagonal LaCoO3 (0 0 1) surface: a density functional theory study

Density functional theory study of adsorption properties of non-carbon, carbon and functionalized graphene surfaces towards the zinc and lead atoms

Density functional theory study of structural, electronic and CO adsorption properties of anionic Scn− (n = 2–13) clusters

Density functional theory study towards investigating the adsorption properties of the γ-Fe2O3 nanoparticles as a nanocarrier for delivery of Flutamide anticancer drug

Adsorption properties of NH3, NO, and O2 molecules over the FeO (100) and oxygen-defected FeO (100) surfaces: a density functional theory study

Strain and coordination effects in the adsorption properties of early transition metals: A density-functional theory study

Aluminum and Vacancy Defects on Electronic and Magnetic Properties of BN Sheet: A Density Functional Theory Study

Correction: Adsorption properties of NO molecules on the hexagonal LaCoO3 (0 0 1) surface: a density functional theory study

Adsorption properties of trifluoroacetic acid on anatase (101) and (001) surfaces: a density functional theory study

Density functional theory study of structural, electronic and CO adsorption properties of anionic Scn− (n = 2–13) clusters