Adsorption mechanism of H2S and CH3SH on Fe(110) surface: A density functional theory study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2021.114938 ◽

2022 ◽

Vol 135 ◽

pp. 114938

Author(s):

Meng Hao ◽

Wen Zeng ◽

Yanqiong Li

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Mechanism ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

FT-IR, XPS and Density Functional Theory Study of Adsorption Mechanism of Sodium Formate onto Goethite or Hematite

Light Metals 2016 ◽

10.1007/978-3-319-48251-4_6 ◽

2016 ◽

pp. 29-35

Author(s):

Meng Wang ◽

Huiping Hu ◽

Qiyuan Chen ◽

Guangfu Ji

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Mechanism ◽

Sodium Formate ◽

Density Functional Theory Study ◽

Functional Theory ◽

Ft Ir

Download Full-text

Ft- Ir, XPS and Density Functional Theory Study of Adsorption Mechanism of Sodium Formate onto Goethite or Hematite

Light Metals 2016 ◽

10.1002/9781119274780.ch6 ◽

2016 ◽

pp. 29-35

Author(s):

Meng Wang ◽

Huiping Hu ◽

Qiyuan Chen ◽

Guangfu Ji

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Mechanism ◽

Sodium Formate ◽

Density Functional Theory Study ◽

Functional Theory ◽

Ft Ir

Download Full-text

Density functional theory study on the enhanced adsorption mechanism of gaseous pollutants on Al-doped Ti2CO2 monolayer

Sustainable Materials and Technologies ◽

10.1016/j.susmat.2021.e00294 ◽

2021 ◽

pp. e00294

Author(s):

Zechao Wu ◽

Junhui Zhou ◽

Didi Li ◽

Zhimin Ao ◽

Taicheng An ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Mechanism ◽

Gaseous Pollutants ◽

Density Functional Theory Study ◽

Functional Theory ◽

Enhanced Adsorption

Download Full-text

Adsorption mechanism of sulphide gas molecules on γ-Fe(1 1 1) surface: A density functional theory study

Applied Surface Science ◽

10.1016/j.apsusc.2021.150376 ◽

2021 ◽

pp. 150376

Author(s):

Meng Hao ◽

Wen Zeng

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Mechanism ◽

Density Functional Theory Study ◽

Functional Theory ◽

Gas Molecules

Download Full-text

Two-Dimensional Infrared Correlation Spectroscopy, Conductor-like Screening Model for Real Solvents, and Density Functional Theory Study on the Adsorption Mechanism of Polyvinylpolypyrrolidone for Effective Phenol Removal in an Aqueous Medium

ACS Omega ◽

10.1021/acsomega.1c02699 ◽

2021 ◽

Vol 6 (39) ◽

pp. 25179-25192

Author(s):

Muhammad Ammar Mohammad Alwi ◽

Erna Normaya ◽

Hakimah Ismail ◽

Anwar Iqbal ◽

Bijarimi Mat Piah ◽

...

Keyword(s):

Density Functional Theory ◽

Aqueous Medium ◽

Density Functional ◽

Adsorption Mechanism ◽

Correlation Spectroscopy ◽

Phenol Removal ◽

Two Dimensional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Screening Model

Download Full-text

Adsorption mechanism of NH3, NO, and O2 molecules over MnxOy/Ni (111) surface: a density functional theory study

Journal of Materials Science ◽

10.1007/s10853-019-03929-3 ◽

2019 ◽

Vol 54 (23) ◽

pp. 14414-14430 ◽

Cited By ~ 1

Author(s):

Qilong Fang ◽

Baozhong Zhu ◽

Yunlan Sun ◽

Weiyi Song ◽

Chaoyue Xie ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Adsorption Mechanism ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Download Full-text

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

Download Full-text

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Download Full-text

Adsorption mechanism of H2S and CH3SH on Fe(110) surface: A density functional theory study

FT-IR, XPS and Density Functional Theory Study of Adsorption Mechanism of Sodium Formate onto Goethite or Hematite

Ft- Ir, XPS and Density Functional Theory Study of Adsorption Mechanism of Sodium Formate onto Goethite or Hematite

Density functional theory study on the enhanced adsorption mechanism of gaseous pollutants on Al-doped Ti2CO2 monolayer

Adsorption mechanism of sulphide gas molecules on γ-Fe(1 1 1) surface: A density functional theory study

Two-Dimensional Infrared Correlation Spectroscopy, Conductor-like Screening Model for Real Solvents, and Density Functional Theory Study on the Adsorption Mechanism of Polyvinylpolypyrrolidone for Effective Phenol Removal in an Aqueous Medium

Adsorption mechanism of NH3, NO, and O2 molecules over MnxOy/Ni (111) surface: a density functional theory study

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

Adsorption mechanism of sulphide gas molecules on γ-Fe(1 1 1) surface: A density functional theory study