# Monolayer Gas Adsorption on Graphene-Based Materials: Surface Density of Adsorption Sites and Adsorption Capacity

^{*}

## Abstract

**:**

## 1. Introduction

**equilibrium**surface density of adsorbate molecules. The expression given in [40] that refers to the equilibrium coverage of adsorbate molecules, is used here reversely, for the calculation of the surface density of adsorption sites on the surface of the sensing or adsorbent device in case adsorption kinetics resembles the kinetics of the first order reactions. This agrees with the criteria investigated in [6] and is valid for a broad range of gas adsorption applications. Hence, our work provides a practical method to calculate a parameter that is of primary importance to theoretical and experimental determination of adsorption-desorption reaction kinetics on graphene and other surfaces.

## 2. Methods

## 3. Results and Discussion

## Author Contributions

## Funding

## Acknowledgments

## Conflicts of Interest

## References

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**Figure 1.**(

**a**) ADmoND-generated picture of a crystal surface surrounded by a mixture of three monatomic gases moving freely, adsorbing and desorbing in a stochastic manner. (

**b**) Graphene structure.

**Figure 2.**Possible spacial orientations of (

**a**) carbon monoxide, (

**b**) chlorine and (

**c**) hexane whose range of molecular projection areas are (8.13–11.01), (9.62–16.70) and (21.59–40.59) angström, respectively.

**Figure 3.**(

**a**) The ratio of the adsorption capacities for the monolayer adsorption of carbon monoxide on graphene, calculated with and without neglecting the depletion of the number of the molecules in the gas phase. (

**b**) Surface densities are calculated in three ways: based on the crystallographic surface of graphene (the plane with red dots), based on the molecular size and orientation (the plane with green plus symbols) and by using the expression from [40] based on the desorption energy (mesh).

Gas | CH${}_{4}$ | CO | N${}_{2}$ | A${}_{\mathrm{r}}$ | O${}_{2}$ | CO${}_{2}$ |
---|---|---|---|---|---|---|

[49], p.1390 | 6.3 | 6.6 | 6.6 | 7.7 | 7.7 | 6.1 |

our data | 6.52 | 7.15 | 7.5 | 7.08 | 7.34 | 6.52 |

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**MDPI and ACS Style**

Jakšić, O.; Spasenović, M.; Jakšić, Z.; Vasiljević-Radović, D.
Monolayer Gas Adsorption on Graphene-Based Materials: Surface Density of Adsorption Sites and Adsorption Capacity. *Surfaces* **2020**, *3*, 423-432.
https://doi.org/10.3390/surfaces3030031

**AMA Style**

Jakšić O, Spasenović M, Jakšić Z, Vasiljević-Radović D.
Monolayer Gas Adsorption on Graphene-Based Materials: Surface Density of Adsorption Sites and Adsorption Capacity. *Surfaces*. 2020; 3(3):423-432.
https://doi.org/10.3390/surfaces3030031

**Chicago/Turabian Style**

Jakšić, Olga, Marko Spasenović, Zoran Jakšić, and Dana Vasiljević-Radović.
2020. "Monolayer Gas Adsorption on Graphene-Based Materials: Surface Density of Adsorption Sites and Adsorption Capacity" *Surfaces* 3, no. 3: 423-432.
https://doi.org/10.3390/surfaces3030031