Submit to Molecules Review for Molecules Propose a Special Issue

Journal Browser

► Journal Browser

Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications

Special Issue Editors
Special Issue Information
Keywords
Published Papers

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Applied Chemistry".

Deadline for manuscript submissions: closed (31 January 2024) | Viewed by 18967

Share This Special Issue

Special Issue Editors

Dr. Luca Tortora

E-Mail Website
Guest Editor

1. Department of Sciences, Roma Tre University Via della Vasca Navale 84, 00146 Rome, Italy
2. National Institute of Nuclear Physics (INFN), Roma Tre section, Via della Vasca Navale 84, 00146 Rome, Italy
Interests: surface science; material science; surface and interface chemistry; TOF-SIMS; QCM; chemometrics; sensors

Dr. Gianlorenzo Bussetti

E-Mail Website
Guest Editor

Department of Physics, Politecnico di Milano, p.za Leonardo da Vinci 32, I-20133 Milano, Italy
Interests: surface science; material science; physical and chemical properties of the solid/liquid interface; EC-SPM; optical properties of surfaces and interfaces; SDR, RAS

Special Issue Information

Dear Colleagues,

This Special Issue is focused on recent developments in carbon-based materials for applications in energy and sensor devices. It covers the synthesis, structures, properties, and theory materials. Particular attention will be paid to the modification of graphite, graphene, and their composites. These novel materials have attracted the interest and the research focus of the scientific community. The applications of such materials have already found great success in the solar cell, photocatalytic water splitting, battery, hydrogen storage, and fuel cell areas. At the same time, they are also promising for sensor detection of volatile compounds and biological material.

The following are potential subjects of interest for this Special Issue:

Intercalation of atoms and molecules in graphite
Cutting edge techniques for the characterization of graphite and graphene-based materials
Modification of graphite and graphene for application as biosensor, gas sensor, and liquid sensor
Modification of graphitic electrodes for application in battery, hydrogen storage, and fuel cells
Density functional theory (DFT), Monte Carlo, and molecular dynamics (MD) calculations to better understand the structural, chemical, and electrical properties of graphite and graphene composites

Dr. Luca Tortora
Dr. Gianlorenzo Bussetti
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

Graphene, Graphite, HOPG
intercalation
surface analysis
energy, sensor
DFT, molecular dynamics
electrodes, electrochemistry
solar cell
photocatalytic water splitting
battery
hydrogen storage
fuel cells
QCM
Biosensor
gas sensor
liquid sensor

Published Papers (11 papers)

Download All Papers

Research

Jump to: Review

11 pages, 1673 KiB

Open AccessCommunication

Waste-Wood-Isolated Cellulose-Based Activated Carbon Paper Electrodes with Graphene Nanoplatelets for Flexible Supercapacitors

by Jung Jae Lee, Su-Hyeong Chae, Jae Jun Lee, Min Sang Lee, Wonhyung Yoon, Lee Ku Kwac, Hong Gun Kim and Hye Kyoung Shin

Molecules 2023, 28(23), 7822; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules28237822 - 28 Nov 2023

Cited by 1 | Viewed by 775

Abstract

Waste wood, which has a large amount of cellulose fibers, should be transformed into useful materials for addressing environmental and resource problems. Thus, this study analyzed the application of waste wood as supercapacitor electrode material. First, cellulose fibers were extracted from waste wood and mixed with different contents of graphene nanoplatelets (GnPs) in water. Using a facile filtration method, cellulose papers with GnPs were prepared and converted into carbon papers through carbonization and then to porous activated carbon papers containing GnPs (ACP−GnP) through chemical activation processes. For the morphology of ACP−GnP, activated carbon fibers with abundant pores were formed. The increase in the amount of GnPs attached to the fiber surfaces decreased the number of pores. The Brunauer–Emmett–Teller surface areas and specific capacitance of the ACP−GnP electrodes decreased with an increase in the GnP content. However, the galvanostatic charge–discharge curves of ACPs with higher GnP contents gradually changed into triangular and linear shapes, which are associated with the capacitive performance. For example, ACP with 15 wt% GnP had a low mass transfer resistance and high charge delivery of ions, resulting in the specific capacitance value of 267 Fg⁻¹ owing to micropore and mesopore formation during the activation of carbon paper. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Figure 1

13 pages, 17246 KiB

Open AccessArticle

Characterization of Conductive Carbon Nanotubes/Polymer Composites for Stretchable Sensors and Transducers

by Laura Fazi, Carla Andreani, Cadia D’Ottavi, Leonardo Duranti, Pietro Morales, Enrico Preziosi, Anna Prioriello, Giovanni Romanelli, Valerio Scacco, Roberto Senesi and Silvia Licoccia

Molecules 2023, 28(4), 1764; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules28041764 - 13 Feb 2023

Cited by 3 | Viewed by 1362

Abstract

The increasing interest in stretchable conductive composite materials, that can be versatile and suitable for wide-ranging application, has sparked a growing demand for studies of scalable fabrication techniques and specifically tailored geometries. Thanks to the combination of the conductivity and robustness of carbon nanotube (CNT) materials with the viscoelastic properties of polymer films, in particular their stretchability, “surface composites” made of a CNT on polymeric films are a promising way to obtain a low-cost, conductive, elastic, moldable, and patternable material. The use of polymers selected for specific applications, however, requires targeted studies to deeply understand the interface interactions between a CNT and the surface of such polymer films, and in particular the stability and durability of a CNT grafting onto the polymer itself. Here, we present an investigation of the interface properties for a selected group of polymer film substrates with different viscoelastic properties by means of a series of different and complementary experimental techniques. Specifically, we studied the interaction of a single-wall carbon nanotube (SWCNT) deposited on two couples of different polymeric substrates, each one chosen as representative of thermoplastic polymers (i.e., low-density polyethylene (LDPE) and polypropylene (PP)) and thermosetting elastomers (i.e., polyisoprene (PI) and polydimethylsiloxane (PDMS)), respectively. Our results demonstrate that the characteristics of the interface significantly differ for the two classes of polymers with a deeper penetration (up to about 100 μm) into the polymer bulk for the thermosetting substrates. Consequently, the resistance per unit length varies in different ranges, from 1–10 kΩ/cm for typical thermoplastic composite devices (30 μm thick and 2 mm wide) to 0.5–3 MΩ/cm for typical thermosetting elastomer devices (150 μm thick and 2 mm wide). For these reasons, the composites show the different mechanical and electrical responses, therefore suggesting different areas of application of the devices based on such materials. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Figure 1

16 pages, 3841 KiB

Open AccessArticle

Highly Sensitive Sub-ppm CH₃COOH Detection by Improved Assembly of Sn₃O₄-RGO Nanocomposite

by Norazreen Abd Aziz, Mohd Faizol Abdullah, Siti Aishah Mohamad Badaruddin, Mohd Rofei Mat Hussin and Abdul Manaf Hashim

Molecules 2022, 27(24), 8707; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27248707 - 08 Dec 2022

Cited by 3 | Viewed by 1046

Abstract

Detection of sub-ppm acetic acid (CH₃COOH) is in demand for environmental gas monitoring. In this article, we propose a CH₃COOH gas sensor based on Sn₃O₄ and reduced graphene oxide (RGO), where the assembly of Sn₃O₄-RGO nanocomposites is dependent on the synthesis method. Three nanocomposites prepared by three different synthesis methods are investigated. The optimum assembly is by hydrothermal reactions of Sn⁴⁺ salts and pre-reduced RGO (designated as RS nanocomposite). Raman spectra verified the fingerprint of RGO in the synthesized RS nanocomposite. The Sn₃O₄ planes of (111), (210), (130), (

\bar{13} 2

) are observed from the X-ray diffractogram, and its average crystallite size is 3.94 nm. X-ray photoelectron spectroscopy on Sn3d and O1s spectra confirm the stoichiometry of Sn₃O₄ with Sn:O ratio = 0.76. Sn₃O₄-RGO-RS exhibits the highest response of 74% and 4% at 2 and 0.3 ppm, respectively. The sensitivity within sub-ppm CH₃COOH is 64%/ppm. Its superior sensing performance is owing to the embedded and uniformly wrapped Sn₃O₄ nanoparticles on RGO sheets. This allows a massive relative change in electron concentration at the Sn₃O₄-RGO heterojunction during the on/off exposure of CH₃COOH. Additionally, the operation is performed at room temperature, possesses good repeatability, and consumes only ~4 µW, and is a step closer to the development of a commercial CH₃COOH sensor. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Figure 1

12 pages, 3050 KiB

Open AccessArticle

Optical Anisotropy of Porphyrin Nanocrystals Modified by the Electrochemical Dissolution

by Rossella Yivlialin, Claudia Filoni, Francesco Goto, Alberto Calloni, Lamberto Duò, Franco Ciccacci and Gianlorenzo Bussetti

Molecules 2022, 27(22), 8010; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27228010 - 18 Nov 2022

Cited by 2 | Viewed by 1047

Abstract

Reflectance anisotropy spectroscopy (RAS) coupled to an electrochemical cell represents a powerful tool to correlate changes in the surface optical anisotropy to changes in the electrochemical currents related to electrochemical reactions. The high sensitivity of RAS in the range of the absorption bands of organic systems, such as porphyrins, allows us to directly correlate the variations of the optical anisotropy signal to modifications in the solid-state aggregation of the porphyrin molecules. By combining in situ RAS to electrochemical techniques, we studied the case of vacuum-deposited porphyrin nanocrystals, which have been recently observed dissolving through electrochemical oxidation in diluted sulfuric acid. Specifically, we could identify the first stages of the morphological modifications of the nanocrystals, which we could attribute to the single-electron transfers involved in the oxidation reaction; in this sense, the simultaneous variation of the optical anisotropy with the electron transfer acts as a precursor of the dissolution process of porphyrin nanocrystals. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Figure 1

23 pages, 19833 KiB

Open AccessArticle

Structure and Dynamics of Adsorbed Dopamine on Solvated Carbon Nanotubes and in a CNT Groove

by Qizhang Jia, B. Jill Venton and Kateri H. DuBay

Molecules 2022, 27(12), 3768; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27123768 - 11 Jun 2022

Viewed by 2125

Abstract

Advanced carbon microelectrodes, including many carbon-nanotube (CNT)-based electrodes, are being developed for the in vivo detection of neurotransmitters such as dopamine (DA). Our prior simulations of DA and dopamine-o-quinone (DOQ) on pristine, flat graphene showed rapid surface diffusion for all adsorbed species, but it is not known how CNT surfaces affect dopamine adsorption and surface diffusivity. In this work, we use molecular dynamics simulations to investigate the adsorbed structures and surface diffusion dynamics of DA and DOQ on CNTs of varying curvature and helicity. In addition, we study DA dynamics in a groove between two aligned CNTs to model the spatial constraints at the junctions within CNT assemblies. We find that the adsorbate diffusion on a solvated CNT surface depends upon curvature. However, this effect cannot be attributed to changes in the surface energy roughness because the lateral distributions of the molecular adsorbates are similar across curvatures, diffusivities on zigzag and armchair CNTs are indistinguishable, and the curvature dependence disappears in the absence of solvent. Instead, adsorbate diffusivities correlate with the vertical placement of the adsorbate’s moieties, its tilt angle, its orientation along the CNT axis, and the number of waters in its first hydration shell, all of which will influence its effective hydrodynamic radius. Finally, DA diffuses into and remains in the groove between a pair of aligned and solvated CNTs, enhancing diffusivity along the CNT axis. These first studies of surface diffusion on a CNT electrode surface are important for understanding the changes in diffusion dynamics of dopamine on nanostructured carbon electrode surfaces. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Graphical abstract

14 pages, 4681 KiB

Open AccessArticle

Nanochannel Array on Electrochemically Polarized Screen Printed Carbon Electrode for Rapid and Sensitive Electrochemical Determination of Clozapine in Human Whole Blood

by Kai Wang, Luoxing Yang, Huili Huang, Ning Lv, Jiyang Liu and Youshi Liu

Molecules 2022, 27(9), 2739; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27092739 - 24 Apr 2022

Cited by 28 | Viewed by 1872

Abstract

Rapid and highly sensitive determination of clozapine (CLZ), a psychotropic drug for the treatment of refractory schizophrenia, in patients is of great significance to reduce the risk of disease recurrence. However, direct electroanalysis of CLZ in human whole blood remains a great challenge owing to the remarkable fouling that occurs in a complex matrix. In this work, a miniaturized, integrated, disposable electrochemical sensing platform based on the integration of nanochannel arrays on the surface of screen-printed carbon electrodes (SPCE) is demonstrated. The device achieves high determination sensitivity while also offering the electrode anti-fouling and anti-interference capabilities. To enhance the electrochemical performance of SPCE, simple electrochemical polarization including anodic oxidation and cathodic reduction is applied to pretreat SPCE. The electrochemically polarized SPCE (p-SPCE) exhibits an enhanced electrochemical peak signal toward CLZ compared with bare SPCE. An electrochemically assisted self-assembly method (EASA) is utilized to conveniently electrodeposit a vertically ordered mesoporous silica nanomembrane film (VMSF) on the p-SPCE, which could further enrich CLZ through electrostatic interactions. Owing to the dual signal amplification based on the p-SPCE and VMSF nanochannels, the developed VMSF/SPCE sensor enables determination of CLZ in the range from 50 nM to 20 μM with a low limit of detection (LOD) of 28 nM (S/N = 3). Combined with the excellent anti-fouling and anti-interference abilities of VMSF, direct and sensitive determination of CLZ in human blood is also achieved. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Figure 1

14 pages, 5655 KiB

Open AccessArticle

The Facile Preparation of PBA-GO-CuO-Modified Electrochemical Biosensor Used for the Measurement of α-Amylase Inhibitors’ Activity

by Min Li, Xiaoying Yin, Hongli Shan, Chenting Meng, Shengxue Chen and Yinan Yan

Molecules 2022, 27(8), 2395; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27082395 - 07 Apr 2022

Cited by 2 | Viewed by 1741

Abstract

Element doping and nanoparticle decoration of graphene is an effective strategy to fabricate biosensor electrodes for specific biomedical signal detections. In this study, a novel nonenzymatic glucose sensor electrode was developed with copper oxide (CuO) and boron-doped graphene oxide (B-GO), which was firstly used to reveal rhubarb extraction’s inhibitive activity toward α-amylase. The 1-pyreneboronic acid (PBA)-GO-CuO nanocomposite was prepared by a hydrothermal method, and its successful boron doping was confirmed by transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS), in which the boron doping rate is unprecedentedly up to 9.6%. The CuO load reaches ~12.5 wt.%. Further electrochemical results showed that in the enlarged cyclic voltammograms diagram, the electron-deficient boron doping sites made it easier for the electron transfer in graphene, promoting the valence transition from CuO to the electrode surface. Moreover, the sensor platform was ultrasensitive to glucose with a detection limit of 0.7 μM and high sensitivity of 906 μA mM⁻¹ cm⁻², ensuring the sensitive monitoring of enzyme activity. The inhibition rate of acarbose, a model inhibitor, is proportional to the logarithm of concentration in the range of 10⁻⁹–10⁻³ M with the correlation coefficient of R² = 0.996, and an ultralow limit of detection of ~1 × 10⁻⁹ M by the developed method using the PBA-GO-CuO electrode. The inhibiting ability of Rhein-8-b-D-glucopyranoside, which is isolated from natural medicines, was also evaluated. The constructed sensor platform was proven to be sensitive and selective as well as cost-effective, facile, and reliable, making it promising as a candidate for α-amylase inhibitor screening. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Graphical abstract

10 pages, 5594 KiB

Open AccessArticle

Analytical Performance of Clay Paste Electrode and Graphene Paste Electrode-Comparative Study

by Ewelina Skowron, Kaja Spilarewicz-Stanek, Dariusz Guziejewski, Kamila Koszelska, Radovan Metelka and Sylwia Smarzewska

Molecules 2022, 27(7), 2037; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules27072037 - 22 Mar 2022

Cited by 4 | Viewed by 1729

Abstract

The analytical performance of the clay paste electrode and graphene paste electrode was compared using square wave voltammetry (SWV) and cyclic voltammetry (CV). The comparison was made on the basis of a paracetamol (PA) determination on both working electrodes. The influence of pH and SWV parameters was investigated. The linear concentration ranges were found to be 6.0 × 10⁻⁷–3.0 × 10⁻⁵ and 2.0 × 10⁻⁶–8.0 × 10⁻⁵ mol L⁻¹ for clay paste electrode (ClPE) and graphene paste electrode (GrPE), respectively. The detection and quantification limits were calculated as 1.4 × 10⁻⁷ and 4.7 ×10⁻⁷ mol L⁻¹ for ClPE and 3.7 × 10⁻⁷ and 1.2 × 10⁻⁶ mol L⁻¹ for GrPE, respectively. Developed methods were successfully applied to pharmaceutical formulations analyses. Scanning electron microscopy and energy-dispersive X-ray spectroscopy were used to characterize ClPE and GrPE surfaces. Clay composition was examined with wavelength dispersive X-ray (WDXRF). Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Figure 1

11 pages, 1703 KiB

Open AccessArticle

Compared EC-AFM Analysis of Laser-Induced Graphene and Graphite Electrodes in Sulfuric Acid Electrolyte

by Claudia Filoni, Bahram Shirzadi, Marco Menegazzo, Eugenio Martinelli, Corrado Di Natale, Andrea Li Bassi, Luca Magagnin, Lamberto Duò and Gianlorenzo Bussetti

Molecules 2021, 26(23), 7333; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26237333 - 02 Dec 2021

Cited by 1 | Viewed by 2167

Abstract

Flexible and economic sensor devices are the focus of increasing interest for their potential and wide applications in medicine, food analysis, pollution, water quality, etc. In these areas, the possibility of using stable, reproducible, and pocket devices can simplify the acquisition of data. Among recent prototypes, sensors based on laser-induced graphene (LIGE) on Kapton represent a feasible choice. In particular, LIGE devices are also exploited as electrodes for sensing in liquids. Despite a characterization with electrochemical (EC) methods in the literature, a closer comparison with traditional graphite electrodes is still missing. In this study, we combine atomic force microscopy with an EC cell (EC-AFM) to study, in situ, electrode oxidation reactions when LIGE or other graphite samples are used as anodes inside an acid electrolyte. This investigation shows the quality and performance of the LIGE electrode with respect to other samples. Finally, an ex situ Raman spectroscopy analysis allows a detailed chemical analysis of the employed electrodes. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Graphical abstract

13 pages, 1892 KiB

Open AccessArticle

Effect of Graphene Characteristics on Morphology and Performance of Composite Noble Metal-Reduced Graphene Oxide SERS Substrate

by Tajana Kostadinova, Nikolaos Politakos, Ana Trajcheva, Jadranka Blazevska-Gilev and Radmila Tomovska

Molecules 2021, 26(16), 4775; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26164775 - 06 Aug 2021

Cited by 10 | Viewed by 2088

Abstract

Graphene/noble metal substrates for surface enhanced RAMAN scattering (SERS) possess synergistically improved performance, due to the strong chemical enhancement mechanism accounted to graphene and the electromagnetic mechanism raised from the metal nanoparticles. However, only the effect of noble metal nanoparticles characteristics on the SERS performance was studied so far. In attempts to bring a light to the effect of quality of graphene, in this work, two different graphene oxides were selected, slightly oxidized GOS (20%) with low aspect ratio (1000) and highly oxidized (50%) GOG with high aspect ratio (14,000). GO and precursors for noble metal nanoparticles (NP) simultaneous were reduced, resulting in rGO decorated with AgNPs and AuNPs. The graphene characteristics affected the size, shape, and packing of nanoparticles. The oxygen functionalities actuated as nucleation sites for AgNPs, thus GOG was decorated with higher number and smaller size AgNPs than GOS. Oppositely, AuNPs preferred bare graphene surface, thus GOS was covered with smaller size, densely packed nanoparticles, resulting in the best SERS performance. Fluorescein in concentration of 10⁻⁷ M was detected with enhancement factor of 82 × 10⁴. This work demonstrates that selection of graphene is additional tool toward powerful SERS substrates. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures

Figure 1

Review

Jump to: Research

17 pages, 3956 KiB

Open AccessReview

Density Functional Theory-Based Approaches to Improving Hydrogen Storage in Graphene-Based Materials

by Heriberto Cruz-Martínez, Brenda García-Hilerio, Fernando Montejo-Alvaro, Amado Gazga-Villalobos, Hugo Rojas-Chávez and Elvia P. Sánchez-Rodríguez

Molecules 2024, 29(2), 436; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules29020436 - 16 Jan 2024

Cited by 1 | Viewed by 1438

Abstract

Various technologies have been developed for the safe and efficient storage of hydrogen. Hydrogen storage in its solid form is an attractive option to overcome challenges such as storage and cost. Specifically, hydrogen storage in carbon-based structures is a good solution. To date, numerous theoretical studies have explored hydrogen storage in different carbon structures. Consequently, in this review, density functional theory (DFT) studies on hydrogen storage in graphene-based structures are examined in detail. Different modifications of graphene structures to improve their hydrogen storage properties are comprehensively reviewed. To date, various modified graphene structures, such as decorated graphene, doped graphene, graphene with vacancies, graphene with vacancies-doping, as well as decorated-doped graphene, have been explored to modify the reactivity of pristine graphene. Most of these modified graphene structures are good candidates for hydrogen storage. The DFT-based theoretical studies analyzed in this review should motivate experimental groups to experimentally validate the theoretical predictions as many modified graphene systems are shown to be good candidates for hydrogen storage. Full article

(This article belongs to the Special Issue Surface and Interface Modification of Graphite and Graphene-Based Materials for Energy and Sensor Applications)

► Show Figures