Chiang Mai Journal of Science

Print ISSN: 0125-2526 | eISSN : 2465-3845

2,448
Articles
Q3 1.0
Impact Factor
Q2 1.6
CiteScore
7 days
Avg. First Decision
Outline
Figures and Tables
ARTICLE METRICS
Views 1,797
Downloads 950

Non-Covalent Interactions between Graphene and Cluster of Ruthenium Oxides and Vanadium Oxides : A Dispersioncorrected Density Functional Theory Study

Paphawarin Kheownil, Parameat Seesopha, Sawitree Chuaychoocherd, Panichakorn Jaiyong and Yuthana Tantirungrotechai
* Author for corresponding; e-mail address: yt203y@gmail.com, yuthana_t@sci.tu.ac.th
Volume: Vol.48 No.6 (November 2021)
Research Article
DOI:
Received: 20 June 2021, Revised: 3 September 2021, Accepted: 8 September 2021, Published: -

Citation: Kheownil P., Seesopha P., Chuaychoocherd S., Jaiyong P. and Tantirungrotechai Y., Non-Covalent Interactions between Graphene and Cluster of Ruthenium Oxides and Vanadium Oxides : A Dispersioncorrected Density Functional Theory Study, Chiang Mai Journal of Science, 2021; 48(6): 1606-1619.

Abstract

Noncovalent-interaction of small vanadium oxide and ruthenium oxide clusters, (V2O5)n and (RuO2)n, with graphenic carbon model of 120 carbon atoms were studied by dispersion-corrected density functional theory. The non-covalent interaction and atoms-in-molecules analyses help identifying the interaction between metal oxide clusters and graphenic carbons. These explain the different degree of interaction energy in these systems. The metal oxide cluster prefers to orient the metal atom with low oxygen coverage towards the graphenic carbon model to achieve strong electrostatic interaction which is stronger than the oxygen-carbon interaction observed mostly in vanadium oxide clusters.

Keywords: dispersion-corrected density functional theory, graphene, transition metal oxide cluster, adsorption, non-bonding analysis

Related Articles

Adsorption Performance of Spherical Porous SiO2 on Heavy Metal Cu2+ in Wastewater
DOI: 10.12982/CMJS.2025.075.

Yan-Min Chen, Zhen-Zhen Chen, Bei-Bei Qi, Ye-Xuan Cai, Jia-Meng Li and Yi-Fan Han

Vol.52 No.5 (September 2025)
Research Article View: 1,502 Download: 129
Barite Adsorption Efficiency for Removal of Mannose. Experimental Measurements and Equilibrium Study
DOI: 10.12982/CMJS.2025.034.

Mustafa Jaip Allah Abdelmageed Abualreish

Vol.52 No.3 (May 2025)
Research Article View: 705 Download: 292
A Rhizobacterium Kitasatospora nipponensis Demonstrates Antifungal Activity against Basal Stem Rot Disease and Promotes Plant Growth in Oil Palm (Elaeis guineensis) Seedlings
DOI: 10.12982/CMJS.2025.033.

Anurag Sunpapao, Supaporn Pithakkit and Prisana Wonglom

Vol.52 No.3 (May 2025)
Research Article View: 1,230 Download: 374
Removal of Chromium (III) Heavy Metal Ions from Aqueous Solutions by Green Synthesized Calix[6]arene
DOI: 10.12982/CMJS.2025.005.

Susy Yunita Prabawati, Nina Hamidah and Afifah Mufidati

Vol.52 No.1 (January 2025)
Research Article View: 1,092 Download: 386
H2S Removal from Biogas using Steel Wool (Fe2O3) Adsorption Combined with Water Absorption: Experimental and Modelling via RSM
DOI: 10.12982/CMJS.2024.027.

Jiraporn Paoaiang, Prukraya Pongyeela, Nirana Chairerk and Juntima Chungsiriporn

Vol.51 No.2 (March 2024)
Research Article View: 2,077 Download: 1,844
Water-based Synthesis of MIL-53(Al) at Room Temperature: An Effective Adsorbent for Oxytetracycline (OTC) Antibiotic Removal from Water
DOI: 10.12982/CMJS.2024.010.

Parnuch Hongsawat, Phuri Kalnaowakul and Panida Prarat

Vol.51 No.1 (January 2024)
Research Article View: 2,178 Download: 688
Highly Selective NO2 Sensors Based on Electrolytically Exfoliated Graphene/Flame-made WO3 Composite Films
DOI: 10.12982/CMJS.2023.067.

Sarunya Sutam, Kanittha Inyawilert, Matawee Punginsang, Mameaseng Siriwalai, Anurat Wisitsoraat, Adisorn Tuantranont and Chaikarn Liewhiran

Vol.50 No.6 (November 2023)
Research Article View: 2,470 Download: 592
Formic Acid Gas Sensors Based on Electrolytically Exfoliated Graphene-loaded Flame-Made Spinel Zn2SnO4 Composites
DOI: 10.12982/CMJS.2023.068.

Wiphawee Jiamjai, Kanittha Inyawilert, Matawee Punginsang, Mameaseng Siriwalai, Anurat Wisitsoraat and Chaikarn Liewhiran

Vol.50 No.6 (November 2023)
Research Article View: 1,668 Download: 698
Development and Optimization of an Amperometric Bi-enzyme Biosensor for Aspartame Determination
DOI: 10.12982/CMJS.2023.064.

Tanaporn Tangtawewipat and Saipin Thanachasai

Vol.50 No.6 (November 2023)
Research Article View: 1,525 Download: 602
Preparation of Porous Silica Nanoparticles by Chemical Etching for Removal of Paraquat from Aqueous Solution
DOI: 10.12982/CMJS.2023.009.

Kanokwan Darasoon, Supawitch Hoijang, Tanapong Kunakham, Sorapong Janhom, Supon Ananta, Gyu Leem and Laongnuan Srisombat

Vol.50 No.1 (January 2023)
Research Article View: 1,948 Download: 1,230
Hydrochar from Lansium domesticum and Salacca zalacca Peel as Adsorbent on Rhodamine-B Removal: Adsorption Process and Regeneration Studies
DOI: 10.12982/CMJS.2022.108.

Mauizatul Hasanah, Alfan Wijaya, Risfidian Mohadi, Fitri Suryani Arsyad and Aldes Lesbani

Vol.49 No.6 (November 2022)
Research Article View: 2,003 Download: 472
2-Methylimidazole-modified Iron Metal-organic Framework as an Efficient Methylene Blue Adsorbent
DOI: 10.12982/CMJS.2022.104.

Yingxin Zhao, Hao Hu, Shengyu Zhang, Shiya Feng, Yun Yang, Xiongjian Li and Shuijin Yang

Vol.49 No.6 (November 2022)
Research Article View: 1,951 Download: 502
Process Optimization and Modeling of Low-cost Activated Carbon Preparation and Its Application in Chromium(VI) Removal
DOI: 10.12982/CMJS.2022.100.

Theeradit Phothitontimongkol and Kanyarak Prasertboonyai

Vol.49 No.6 (November 2022)
Research Article View: 1,894 Download: 557
Sorption Studies of Cesium on Kunipia-F Bentonite and Silicon Dioxide
DOI: 10.12982/CMJS.2022.093.

Anan O-Manee, Youichi Enokida and Kayo Sawada

Vol.49 No.5 (September 2022)
Research Article View: 1,923 Download: 651
Cigarette Butts Valorization: Activated Hydrochar for Methylene Blue Removal
DOI: 10.12982/CMJS.2022.062.

Naphatsarnan Phasukarratchai, Budsarin Yattipat, Parichat Muengkrajang, Sasishai Permpoon and Alissara Reungsang

Vol.49 No.4 (July 2022)
Research Article View: 2,128 Download: 1,319
Density Functional Theory Study of Methane Adsorption on LaCoO3 (001) Surface
page: 1645 - 1656

Xuefeng Wang, Hongyan Zhang,Cunbao Deng, Ling Qiao and Shuangli Du

Vol.48 No.6 (November 2021)
Research Article View: 1,784 Download: 497
Preparation of Cattail-derived Activated Carbon and Its Adsorption Performance toward Ibuprofen and Diclofenac in Water
page: 1538 - 1554

Suhua Han, Qiannan Cao, Dongxu Qian, Ye Yang and Minbo Lu

Vol.48 No.6 (November 2021)
Research Article View: 1,797 Download: 339
Intercalated Zn-Cr-[α-SiW12O40] as Removal Agents of Cobalt (II) in Watery Phase: Adsorption and Regeneration Study
page: 545 - 556

Luna Silaen, Neza Rahayu Palapa, Elfita, Risfidian Mohadi and Aldes Lesbani

Vol.48 No.2 (March 2021)
Research Article View: 1,668 Download: 390
A Novel Polyacrylamide-divinylbenzene Functionalized Fe3O4/Coconut Shell Adsorbent with Superior Capacity for Removal of Acridine Orange
page: 520 - 532

Huan Wang*, Wei Zhao, Youning Chen, Xiaoling Yang and Xiaohua Meng

Vol.48 No.2 (March 2021)
Research Article View: 1,488 Download: 360
A Novel Acrylic Intercalated Hydrotalcite for the Removal of Heavy Metal Ions from Aqueous Solution: Isotherm, Kinetics, Thermodynamics and Mechanism
page: 1055 - 1067

Wei Zhao, Youning Chen and Yuhong Li

Vol.47 No.5 (September 2020)
Research Article View: 1,628 Download: 428
Batch Removal of Pb (II) from Aqueous Solution using Activated Carbon Prepared from Mangosteen Shell Activated with H2SO4
page: 554 - 566

Anitha Devasahayam, Ramadevi Abbai Ramanujam and Seetharaman Ramasamy

Vol.47 No.3 (May 2020)
Research Article View: 1,873 Download: 647
Adsorption of 2,4-Dichlorophenoxyacetic acid by Magnesium Ferrite Magnetic Nanoparticles Modified with Amine Functional Groups
page: 137 - 146

Supawitch Hoijang, Jeeranan Nonkumwong, Burapol Singhana, Sunanta Wangkarn, Supon Ananta and Laongnuan Srisombat

Vol.47 No.1 (January 2020)
Research Article View: 1,736 Download: 489
Modified Mangosteen Shell in the Removal of Hg (II) from Aqueous Solution-Isotherm and Kinetic Studies
page: 127 - 136

Anitha Devasahayam, Ramadevi Abbai Ramanujam and Seetharaman Ramasamy

Vol.47 No.1 (January 2020)
Research Article View: 1,680 Download: 1,601
Determination of Copper(II) and Cadmium(II) in Rice Samples by Anodic Stripping Square Wave Voltammetry Using Reduced Graphene Oxide/Polypyrrole Composite Modified Screen-printed Carbon Electrode
page: 322 - 336

Ploypailin Petsawi, Patrawadee Yaiwong, Rawiwan Laocharoensuk and Kontad Ounnunkad*

Vol.46 No.2 (March 2019)
Research Article View: 1,260 Download: 339
A New Thermal Interface Material: Graphene-epoxy Composite used for LED Heat Dissipation
page: 2459 - 2470

Yin Zhang, Enshen Long and Mingshan Zhang

Vol.45 No.6 (September 2018)
Research Article View: 1,122 Download: 392
Prospective Sorption Evaluation of Hydrothermally Carbonized Lepironia Articulata (Grey sedge) for the Removal of Ni (II) from Aqueous Solution
page: 2220 - 2231

Asadullah, Lupong Kaewsichan and Kanogwan Tohdee

Vol.45 No.5 (Special 2018)
Research Article View: 1,656 Download: 613
Effect of Concentration of Citric Acid on Size and Optical Properties of Fluorescence Graphene Quantum Dots Prepared by Tuning Carbonization Degree
page: 2005 - 2014

Pichitchai Pimpang, Rattiphorn Sumang and Supab Choopun

Vol.45 No.5 (Special 2018)
Research Article View: 1,554 Download: 500
Achieving Adsorption of Cationic Dyes by the Composites Based on H3PMo12O40 Decorating Metal Organic Frameworks
page: 1486 - 1498

Wenpeng Gong, Xiaogang Du, Xiaoxia Liu, Xiaofen Ke and Shuijin Yang*

Vol.45 No.3 (May 2018)
Research Article View: 1,745 Download: 375
Adsorption of a Highly Toxic Aromatic Pollutant From Aqueous Solution Using Low Cost Activated Carbon: Equilibrium, Kinetic and Thermodynamic Aspects
page: 1471 - 1485

Muhammad Hamayun*, Sonia Sherazi, Shah Zareen, Abdul Naeem, Muhammad Saeed, Khizar Hussain Shah, Ataf Ali Altaf, Shahzad Murtaza and Muhammad Zubair

Vol.45 No.3 (May 2018)
Research Article View: 1,662 Download: 415
Preparation of Eco-friendly and Low-cost Activated Carbon from Gracilaria corticata Seaweeds for the Removal of Crystal Violet Dye from Aqueous Solution: Equilibrium and Modeling Studies
page: 1039 - 1051

Duraipandian Jayganesh, Rengasamy Tamilarasan*, Muthiyan Kumar, Mani Murugavelu and Vadivelu Sivakumar

Vol.45 No.2 (March 2018)
Research Article View: 1,770 Download: 345
Laboratory-based Investigation into the Removal Behaviour of Asphalt in Porous Asphalt Mixture on Zinc Ions from Road Runoff
page: 1601 - 1610

Yao Zhao*, Chen Zhao, Kelly Hill and Xun Qian Xu

Vol.44 No.4 (October 2017)
Research Article View: 1,630 Download: 315
Removal of p-Nitrophenol from Aqueous Solution Using Synthesized Silica-Magnetite Composite
page: 1028 - 1039

Adekola F.A.*, Orimolade B.O.** and Adebayo G.B.

Vol.44 No.3 (July 2017)
Research Article View: 1,694 Download: 410
Evaluation of Treated and Untreated Sludge from Yarn Processing Factory as Adsorbent Candidates for Dye Removal
page: 508 - 517

Muhammad Abbas Ahmad Zaini* [a,b] and Noor Yuhana Jusoh [b]

Vol.44 No.2 (April 2017)
Research Article View: 1,609 Download: 268
Towards the Adsorption of Propylene and Propane on Cu(I)X and Cu(I)Y Zeolites: Effects of Zeolite Preparation
page: 591 - 599

Suwichak Phutthapatimok [a,b], Pattaraporn Sridechparsat [a,b], Pramoch Rangsunvigit* [a,b] and Santi Kulprathipanja [c]

Vol.43 No.3 (APRIL 2016)
Research Article View: 1,700 Download: 345
Validating Adsorptive Capacity of Areca Husk Carbon onto Methylene Blue & ANOVA Modelling
page: 183 - 194

Arumugam Basker[a]*, Syed shabudeen[b], Appavoo Ponnuraju Shekhar[c] and Savarimuthu Daniel[b]

Vol.43 No.1 (JANUARY 2016)
Research Article View: 1,618 Download: 285
Modeling and Optimization of Removal of Rhodamine – B from Wastewaters by Adsorption on Modified Clay
page: 1230 - 1240

Morteza Bahram, Robabeh Talebi, Abdolhossein Naseri* , Sirous Nouri

Vol.41 No.5/2 (OCTOBER 2014)
Research Article View: 1,567 Download: 536
Graphene Nanoplatelet/Multi-Walled Carbon nanotube/Polycarbonate Hybrid Nanocomposites for Electrostatic Dissipative Applications: Preparation and Properties
page: 1274 - 1286

Akkachai Poosalaa, Worrawit Kurdsukb, Darunee Aussawasathienb*, and Duanghathai Pentrakoonc*

Vol.41 No.5/2 (OCTOBER 2014)
Research Article View: 1,069 Download: 264
Synthesis and Use of Zeolite Na-A from Waste Sludge of Water Treatment Plant for Ammonium Removal
page: 1262 - 1273

Jeatana Wongwichien [a], Suwimol Asavapisit [a] and Kwannate Sombatsompop* [b]

Vol.41 No.5/2 (OCTOBER 2014)
Research Article View: 1,557 Download: 277
Fabrication of graphene electrodes by electrophoretic deposition and their synergistic effects with PEDOT and platinum
page: 750 - 762

Widsanusan Chartarrayawadee *[a], Simon E. Moulton [b], Chee O. Too [b] and Gordon G. Wallace *[b]

Vol.40 No.4 (OCTOBER 2013)
Research Article View: 1,028 Download: 258
Adsorption Equilibrium of Zinc Ions from Aqueous Solution by Using Modified Clinoptilolite
page: 56 - 62

Achanai Buasri, Phetcharat Yongbut, Nattawut Chaiyut and Kittiya Phattarasirichot

Vol.35 No.1 (JANUARY 2008)
Research Article View: 1,606 Download: 351
Outline
Figures