CO2 Adsorption Thermodynamics over N-Substituted/Grafted Graphanes: A DFT Study

Jing Xiao; Siddarth Sitamraju; Michael J. Janik

doi:10.1021/la4048837

CO2 Adsorption Thermodynamics over N-Substituted/Grafted Graphanes: A DFT Study

Langmuir ◽

10.1021/la4048837 ◽

2014 ◽

Vol 30 (7) ◽

pp. 1837-1844 ◽

Cited By ~ 16

Author(s):

Jing Xiao ◽

Siddarth Sitamraju ◽

Michael J. Janik

Keyword(s):

Co2 Adsorption ◽

Dft Study ◽

Adsorption Thermodynamics

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DFT study of CO2 adsorption properties on pristine, vacancy and doped graphenes

Solid State Communications ◽

10.1016/j.ssc.2021.114436 ◽

2021 ◽

pp. 114436

Author(s):

Chengrui Wang ◽

Yanhong Fang ◽

Huamei Duan ◽

Guangfen Liang ◽

Wanying Li ◽

...

Keyword(s):

Co2 Adsorption ◽

Adsorption Properties ◽

Dft Study

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CO2 adsorption enhancement over Al/C-doped h-BN: A DFT study

Chemosphere ◽

10.1016/j.chemosphere.2021.133396 ◽

2021 ◽

pp. 133396

Author(s):

Pengbo Hu ◽

Shujuan Wang ◽

Yuqun Zhuo

Keyword(s):

Co2 Adsorption ◽

Dft Study

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DFT study of CO2 adsorption across a CaO/Ca12Al14O33 sorbent in the presence of H2O under calcium looping conditions

Chemical Engineering Journal ◽

10.1016/j.cej.2019.03.176 ◽

2019 ◽

Vol 370 ◽

pp. 10-18 ◽

Cited By ~ 9

Author(s):

Xiaotong Ma ◽

Yingjie Li ◽

Wan Zhang ◽

Zeyan Wang ◽

Jianli Zhao

Keyword(s):

Co2 Adsorption ◽

Dft Study ◽

Calcium Looping

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A density functional theory (DFT) study of CO2 adsorption on Mg-rich minerals by enhanced charge distribution

Computational Materials Science ◽

10.1016/j.commatsci.2014.07.042 ◽

2014 ◽

Vol 95 ◽

pp. 181-186 ◽

Cited By ~ 21

Author(s):

Soonchul Kwon ◽

Ji Il Choi ◽

Seung Geol Lee ◽

Seung Soon Jang

Keyword(s):

Density Functional Theory ◽

Charge Distribution ◽

Density Functional ◽

Co2 Adsorption ◽

Dft Study ◽

Functional Theory

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Adsorption Thermodynamics of Sulfur- and Nitrogen-containing Molecules on NiMoS: A DFT Study

Catalysis Letters ◽

10.1007/s10562-006-0069-z ◽

2006 ◽

Vol 109 (3-4) ◽

pp. 133-138 ◽

Cited By ~ 22

Author(s):

Mingyong Sun ◽

Alan E. Nelson ◽

John Adjaye

Keyword(s):

Dft Study ◽

Adsorption Thermodynamics

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Advanced interpretation of CO2 adsorption thermodynamics onto porous solids by statistical physics formalism

Chemical Engineering Journal ◽

10.1016/j.cej.2020.126669 ◽

2021 ◽

Vol 406 ◽

pp. 126669

Author(s):

Sarra Wjihi ◽

Fatma Aouaini ◽

Alessandro Erto ◽

Marco Balsamo ◽

Abdelmottaleb Ben Lamine

Keyword(s):

Statistical Physics ◽

Co2 Adsorption ◽

Porous Solids ◽

Adsorption Thermodynamics

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CO2 adsorption on gas-phase Cu4−xPtx (x = 0–4) clusters: a DFT study

Physical Chemistry Chemical Physics ◽

10.1039/c8cp00818c ◽

2018 ◽

Vol 20 (25) ◽

pp. 17071-17080 ◽

Cited By ~ 11

Author(s):

Luis E. Gálvez-González ◽

J. Octavio Juárez-Sánchez ◽

Rafael Pacheco-Contreras ◽

Ignacio L. Garzón ◽

Lauro Oliver Paz-Borbón ◽

...

Keyword(s):

Carbon Dioxide ◽

Gas Phase ◽

Noble Metal ◽

Metal Clusters ◽

Co2 Adsorption ◽

Value Added ◽

Dft Study ◽

Novel Materials

Transition and noble metal clusters have proven to be critical novel materials, potentially offering major advantages over conventional catalysts in a range of value-added catalytic processess such as carbon dioxide transformation to methanol.

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Guanidine as a strong CO2 adsorbent: A DFT study on cooperative CO2 adsorption

Physical Chemistry Chemical Physics ◽

10.1039/d1cp00754h ◽

2021 ◽

Author(s):

Sebastian Anila ◽

Cherumuttathu Hariharan Suresh

Keyword(s):

Chemical Reactions ◽

Carbon Capture ◽

Co2 Adsorption ◽

Carbon Capture And Storage ◽

Dft Study ◽

Direct Air Capture ◽

Air Capture ◽

Ccs Technologies ◽

And Storage ◽

Co2 Adsorbent

Among the various carbon capture and storage (CCS) technologies, direct air capture (DAC) of CO2 by engineered chemical reactions on suitable adsorbents has attained more attention in recent times. Guanidine...

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