No Session
Chiang Mai Journal of Science, Faculty of Science, Chiang Mai University
 


Journal Volumes


  JOURNAL DETAIL



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


Paper Type 
Contributed Paper
Title 
Non-Covalent Interactions between Graphene and Cluster of Ruthenium Oxides and Vanadium Oxides : A Dispersioncorrected Density Functional Theory Study
Author 
Paphawarin Kheownil, Parameat Seesopha, Sawitree Chuaychoocherd, Panichakorn Jaiyong and Yuthana Tantirungrotechai
Email 
yt203y@gmail.com, yuthana_t@sci.tu.ac.th
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.

Start & End Page 
1606 - 1619
Received Date 
2021-06-20
Revised Date 
2021-09-03
Accepted Date 
2021-09-08
Full Text 
  Download
Keyword 
dispersion-corrected density functional theory, graphene, transition metal oxide cluster, adsorption, non-bonding analysis
Volume 
Vol.48 No.6 (November 2021)
DOI 
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.
SDGs
View:1,310 Download:856

  RELATED ARTICLE

Removal of Chromium (III) Heavy Metal Ions from Aqueous Solutions by Green Synthesized Calix[6]arene
Article ID: e2025005
Author:Susy Yunita Prabawati, Nina Hamidah and Afifah Mufidati
Vol.52 No.1 (January 2025) View: 348 Download:142
H2S Removal from Biogas using Steel Wool (Fe2O3) Adsorption Combined with Water Absorption: Experimental and Modelling via RSM
Article ID: e2024027
Author:Jiraporn Paoaiang, Prukraya Pongyeela, Nirana Chairerk and Juntima Chungsiriporn
Vol.51 No.2 (March 2024) View: 1,095 Download:817
Water-based Synthesis of MIL-53(Al) at Room Temperature: An Effective Adsorbent for Oxytetracycline (OTC) Antibiotic Removal from Water
Article ID: e2024010
Author:Parnuch Hongsawat, Phuri Kalnaowakul and Panida Prarat
Vol.51 No.1 (January 2024) View: 1,115 Download:372
Highly Selective NO2 Sensors Based on Electrolytically Exfoliated Graphene/Flame-made WO3 Composite Films
Article ID: e2023067
Author:Sarunya Sutam, Kanittha Inyawilert, Matawee Punginsang, Mameaseng Siriwalai, Anurat Wisitsoraat, Adisorn Tuantranont and Chaikarn Liewhiran
Vol.50 No.6 (November 2023) View: 1,012 Download:368
SDGs:
Formic Acid Gas Sensors Based on Electrolytically Exfoliated Graphene-loaded Flame-Made Spinel Zn2SnO4 Composites
Article ID: e2023068
Author:Wiphawee Jiamjai, Kanittha Inyawilert, Matawee Punginsang, Mameaseng Siriwalai, Anurat Wisitsoraat and Chaikarn Liewhiran
Vol.50 No.6 (November 2023) View: 1,019 Download:471
SDGs:
Development and Optimization of an Amperometric Bi-enzyme Biosensor for Aspartame Determination
Article ID: e2023064
Author:Tanaporn Tangtawewipat and Saipin Thanachasai
Vol.50 No.6 (November 2023) View: 985 Download:332
Preparation of Porous Silica Nanoparticles by Chemical Etching for Removal of Paraquat from Aqueous Solution
Article ID: e2023009
Author:Kanokwan Darasoon, Supawitch Hoijang, Tanapong Kunakham, Sorapong Janhom, Supon Ananta, Gyu Leem and Laongnuan Srisombat
Vol.50 No.1 (January 2023) View: 1,257 Download:692
SDGs:
Hydrochar from Lansium domesticum and Salacca zalacca Peel as Adsorbent on Rhodamine-B Removal: Adsorption Process and Regeneration Studies
page: 1530 - 1551
Author:Mauizatul Hasanah, Alfan Wijaya, Risfidian Mohadi, Fitri Suryani Arsyad and Aldes Lesbani
Vol.49 No.6 (November 2022) View: 1,213 Download:327
2-Methylimidazole-modified Iron Metal-organic Framework as an Efficient Methylene Blue Adsorbent
page: 1576 - 1593
Author:Yingxin Zhao, Hao Hu, Shengyu Zhang, Shiya Feng, Yun Yang, Xiongjian Li and Shuijin Yang
Vol.49 No.6 (November 2022) View: 1,223 Download:350
Process Optimization and Modeling of Low-cost Activated Carbon Preparation and Its Application in Chromium(VI) Removal
page: 1559 - 1575
Author:Theeradit Phothitontimongkol and Kanyarak Prasertboonyai
Vol.49 No.6 (November 2022) View: 1,170 Download:363
Hydrogen Sulfide Adsorption on Alumina/Graphene Oxide Composites at Ambient Temperature
page: 1618 - 1632
Author:Montree Hankoy, Mettaya Kitiwan, Chaiwat Phrompet, Chesta Ruttanapun, Prangtip Rittichote Kaewpengkrow, Supawan Vichaphund, Duangduen Atong and Phacharaphon Tunthawiroon
Vol.49 No.6 (November 2022) View: 1,873 Download:427
Sorption Studies of Cesium on Kunipia-F Bentonite and Silicon Dioxide
page: 1452 - 1457
Author:Anan O-Manee, Youichi Enokida and Kayo Sawada
Vol.49 No.5 (September 2022) View: 1,214 Download:391
Cigarette Butts Valorization: Activated Hydrochar for Methylene Blue Removal
page: 1063 - 1075
Author:Naphatsarnan Phasukarratchai, Budsarin Yattipat, Parichat Muengkrajang, Sasishai Permpoon and Alissara Reungsang
Vol.49 No.4 (July 2022) View: 1,478 Download:874
Density Functional Theory Study of Methane Adsorption on LaCoO3 (001) Surface
page: 1645 - 1656
Author:Xuefeng Wang, Hongyan Zhang,Cunbao Deng, Ling Qiao and Shuangli Du
Vol.48 No.6 (November 2021) View: 1,296 Download:288
Preparation of Magnetic Graphene Oxide and its Application in the Detection of Salmonella in Chicken
page: 1524 - 1537
Author:Lili Liu, Mengjun Zhang, Zhengdi Huang, Weiwei Cheng, Yuanyuan Meng, Haoyang Wang and Yuanyuan Li
Vol.48 No.6 (November 2021) View: 1,321 Download:310
Preparation of Cattail-derived Activated Carbon and Its Adsorption Performance toward Ibuprofen and Diclofenac in Water
page: 1538 - 1554
Author:Suhua Han, Qiannan Cao, Dongxu Qian, Ye Yang and Minbo Lu
Vol.48 No.6 (November 2021) View: 1,265 Download:210
A Novel Magnetic TiO2-Graphene Oxide Composite Material with Enhanced Photocatalytic Performance for Acridine Orange
page: 506 - 519
Author:Huan Wang, Wei Zhao, Youning Chen, Xiaoling Yang,Yuhong Li and Xiaohua Meng
Vol.48 No.2 (March 2021) View: 786 Download:244
Intercalated Zn-Cr-[α-SiW12O40] as Removal Agents of Cobalt (II) in Watery Phase: Adsorption and Regeneration Study
page: 545 - 556
Author:Luna Silaen, Neza Rahayu Palapa, Elfita, Risfidian Mohadi and Aldes Lesbani
Vol.48 No.2 (March 2021) View: 1,278 Download:296
A Novel Polyacrylamide-divinylbenzene Functionalized Fe3O4/Coconut Shell Adsorbent with Superior Capacity for Removal of Acridine Orange
page: 520 - 532
Author:Huan Wang*, Wei Zhao, Youning Chen, Xiaoling Yang and Xiaohua Meng
Vol.48 No.2 (March 2021) View: 1,080 Download:250
A Novel Acrylic Intercalated Hydrotalcite for the Removal of Heavy Metal Ions from Aqueous Solution: Isotherm, Kinetics, Thermodynamics and Mechanism
page: 1055 - 1067
Author:Wei Zhao, Youning Chen and Yuhong Li
Vol.47 No.5 (September 2020) View: 1,195 Download:309
Batch Removal of Pb (II) from Aqueous Solution using Activated Carbon Prepared from Mangosteen Shell Activated with H2SO4
page: 554 - 566
Author:Anitha Devasahayam, Ramadevi Abbai Ramanujam and Seetharaman Ramasamy
Vol.47 No.3 (May 2020) View: 1,398 Download:480
Catalytic Activity of Bimetallic Au@Pt Core-Shell Over CeO2-Al2O3 for CO Oxidation Reaction
page: 278 - 287
Author:Wichet Lamai and Akkarat Wongkaew*
Vol.47 No.2 (Special Issue I : March 2020) View: 1,556 Download:688
Adsorption of 2,4-Dichlorophenoxyacetic acid by Magnesium Ferrite Magnetic Nanoparticles Modified with Amine Functional Groups
page: 137 - 146
Author:Supawitch Hoijang, Jeeranan Nonkumwong, Burapol Singhana, Sunanta Wangkarn, Supon Ananta and Laongnuan Srisombat
Vol.47 No.1 (January 2020) View: 1,314 Download:435
SDGs:
Modified Mangosteen Shell in the Removal of Hg (II) from Aqueous Solution-Isotherm and Kinetic Studies
page: 127 - 136
Author:Anitha Devasahayam, Ramadevi Abbai Ramanujam and Seetharaman Ramasamy
Vol.47 No.1 (January 2020) View: 1,247 Download:1,535
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
Author:Ploypailin Petsawi, Patrawadee Yaiwong, Rawiwan Laocharoensuk and Kontad Ounnunkad*
Vol.46 No.2 (March 2019) View: 777 Download:267
A New Thermal Interface Material: Graphene-epoxy Composite used for LED Heat Dissipation
page: 2459 - 2470
Author:Yin Zhang, Enshen Long and Mingshan Zhang
Vol.45 No.6 (September 2018) View: 695 Download:342
Prospective Sorption Evaluation of Hydrothermally Carbonized Lepironia Articulata (Grey sedge) for the Removal of Ni (II) from Aqueous Solution
page: 2220 - 2231
Author:Asadullah, Lupong Kaewsichan and Kanogwan Tohdee
Vol.45 No.5 (Special 2018) View: 1,232 Download:526
Effect of Concentration of Citric Acid on Size and Optical Properties of Fluorescence Graphene Quantum Dots Prepared by Tuning Carbonization Degree
page: 2005 - 2014
Author:Pichitchai Pimpang, Rattiphorn Sumang and Supab Choopun
Vol.45 No.5 (Special 2018) View: 964 Download:385
Highly-sensitive and Selective Nitric Oxide Sensor Based on Electrolytically Exfoliated Graphene/Flame-spay-made SnO2 Nanocomposite Films
page: 1843 - 1854
Author:Nantikan Tammanoon, Anurat Wisitsoraat, Chakrit Sriprachuabwong, Ditsayut Phokharatkul,Adisorn Tuantranont, Sukon Phanichphant and Chaikarn Liewhiran
Vol.45 No.4 (July 2018) View: 1,293 Download:364
Achieving Adsorption of Cationic Dyes by the Composites Based on H3PMo12O40 Decorating Metal Organic Frameworks
page: 1486 - 1498
Author:Wenpeng Gong, Xiaogang Du, Xiaoxia Liu, Xiaofen Ke and Shuijin Yang*
Vol.45 No.3 (May 2018) View: 1,273 Download:284
Adsorption of a Highly Toxic Aromatic Pollutant From Aqueous Solution Using Low Cost Activated Carbon: Equilibrium, Kinetic and Thermodynamic Aspects
page: 1471 - 1485
Author: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) View: 1,240 Download:338
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
Author:Duraipandian Jayganesh, Rengasamy Tamilarasan*, Muthiyan Kumar, Mani Murugavelu and Vadivelu Sivakumar
Vol.45 No.2 (March 2018) View: 1,205 Download:276
Effect of Calcination Temperature on the Magnetic Characteristics of Synthetic Iron Oxide Magnetic Nanoparticles for Arsenic Adsorption
page: 528 - 539
Author:Nucharee Chomchoey, Darunee Bhongsuwan and Tripob Bhongsuwan
Vol.45 No.1 (January 2018) View: 1,164 Download:331
Agrowaste Based Ecofriendly Bio-adsorbent for the Removal of Phenol: Adsorption and Kinetic Study by Acacia Tortilis Pod Shell
page: 355 - 368
Author:Mohammad Malakootian, Amir Hossein Mahvi, Hossein Jafari Mansoorian and Narges Khanjani
Vol.45 No.1 (January 2018) View: 1,199 Download:331
Laboratory-based Investigation into the Removal Behaviour of Asphalt in Porous Asphalt Mixture on Zinc Ions from Road Runoff
page: 1601 - 1610
Author:Yao Zhao*, Chen Zhao, Kelly Hill and Xun Qian Xu
Vol.44 No.4 (October 2017) View: 1,180 Download:238
Removal of p-Nitrophenol from Aqueous Solution Using Synthesized Silica-Magnetite Composite
page: 1028 - 1039
Author:Adekola F.A.*, Orimolade B.O.** and Adebayo G.B.
Vol.44 No.3 (July 2017) View: 1,237 Download:218
Evaluation of Treated and Untreated Sludge from Yarn Processing Factory as Adsorbent Candidates for Dye Removal
page: 508 - 517
Author:Muhammad Abbas Ahmad Zaini* [a,b] and Noor Yuhana Jusoh [b]
Vol.44 No.2 (April 2017) View: 1,167 Download:198
Towards the Adsorption of Propylene and Propane on Cu(I)X and Cu(I)Y Zeolites: Effects of Zeolite Preparation
page: 591 - 599
Author:Suwichak Phutthapatimok [a,b], Pattaraporn Sridechparsat [a,b], Pramoch Rangsunvigit* [a,b] and Santi Kulprathipanja [c]
Vol.43 No.3 (APRIL 2016) View: 1,188 Download:263
Validating Adsorptive Capacity of Areca Husk Carbon onto Methylene Blue & ANOVA Modelling
page: 183 - 194
Author:Arumugam Basker[a]*, Syed shabudeen[b], Appavoo Ponnuraju Shekhar[c] and Savarimuthu Daniel[b]
Vol.43 No.1 (JANUARY 2016) View: 1,172 Download:224
Pt/Al2O3Catalyzed Decolorization of Rhodamine B Dye in Aqueous Medium
page: 730 - 744
Author:Muhammad Saeed, Shahid Adeel, Muhammad Azhar Shahzad, Atta Ul-Haq, Majid Muneer, Muhammad Younas
Vol.42 No.3 (JULY 2015) View: 1,185 Download:256
Enhanced Production of Polysaccharides and Protein Content in Cyanobacterium, Oscillatoria limnetica as a Defense Mechanism Against Low pH and Pb2+
page: 34 - 43
Author:Suneerat Ruangsomboon*
Vol.42 No.1 (JANUARY 2015) View: 1,095 Download:202
Modeling and Optimization of Removal of Rhodamine – B from Wastewaters by Adsorption on Modified Clay
page: 1230 - 1240
Author:Morteza Bahram, Robabeh Talebi, Abdolhossein Naseri* , Sirous Nouri
Vol.41 No.5/2 (OCTOBER 2014) View: 1,180 Download:403
Graphene Nanoplatelet/Multi-Walled Carbon nanotube/Polycarbonate Hybrid Nanocomposites for Electrostatic Dissipative Applications: Preparation and Properties
page: 1274 - 1286
Author:Akkachai Poosalaa, Worrawit Kurdsukb, Darunee Aussawasathienb*, and Duanghathai Pentrakoonc*
Vol.41 No.5/2 (OCTOBER 2014) View: 657 Download:211
Synthesis and Use of Zeolite Na-A from Waste Sludge of Water Treatment Plant for Ammonium Removal
page: 1262 - 1273
Author:Jeatana Wongwichien [a], Suwimol Asavapisit [a] and Kwannate Sombatsompop* [b]
Vol.41 No.5/2 (OCTOBER 2014) View: 1,098 Download:216
Energy Conversion Efficiency Improvement of ZnO Dye-sensitized Solar Cells by Dye Re-adsorption and N-P Junction Technique
page: 783 - 788
Author:Surat Futemvong [a,b], Niyom Hongsith [b,d], Duangmanee Wongratanaphisan [b,c], Atcharawon Gardchare
Vol.40 No.4 (OCTOBER 2013) View: 1,221 Download:221
Fabrication of graphene electrodes by electrophoretic deposition and their synergistic effects with PEDOT and platinum
page: 750 - 762
Author:Widsanusan Chartarrayawadee *[a], Simon E. Moulton [b], Chee O. Too [b] and Gordon G. Wallace *[b]
Vol.40 No.4 (OCTOBER 2013) View: 681 Download:220
Adsorption Equilibrium of Zinc Ions from Aqueous Solution by Using Modified Clinoptilolite
page: 56 - 62
Author:Achanai Buasri, Phetcharat Yongbut, Nattawut Chaiyut and Kittiya Phattarasirichot
Vol.35 No.1 (JANUARY 2008) View: 1,161 Download:232
Use of Natural Clinoptilolite for the Removal of Lead (II) from Wastewater in Batch Experiment
page: 447 - 456
Author:Achanai Buasri, Nattawut Chaiyut, Kittiya Phattarasirichot, Phetcharat Yongbut and Lalita Nammueng
Vol.35 No.3 (SEPTEMBER 2008) View: 1,149 Download:918
Smart Chemical Sensors Based on Ceramic Heterocontacts
page: 239 - 244
Author:David Cann and Seymen Aygün
Vol.32 No.3 (SEPTEMBER 2005) View: 1,135 Download:157
Thermodynamics Study of Natural Indigo Adsorption on Silk Yarn
page: 363 - 367
Author:Paisan Kongkachuichay, Aroonsiri Shitangkoon, and Sakowrath Hirunkitmonkon
Vol.37 No.2 (MAY 2010) View: 1,170 Download:274
Effects of Inorganic and Organic Phases on Specific Surface Area of Ball Clay
page: 141 - 154
Author:Apinon Nuntiya*[a], Frank L. Riley [b] and Brian Rand [b]
Vol.29 No.3 (DECEMBER 2002) View: 1,160 Download:208



Search in this journal


Document Search


Author Search

A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z

Popular Search






Chiang Mai Journal of Science

Faculty of Science, Chiang Mai University
239 Huaykaew Road, Tumbol Suthep, Amphur Muang, Chiang Mai 50200 THAILAND
Tel: +6653-943-467




Faculty of Science,
Chiang Mai University




EMAIL
cmjs@cmu.ac.th




Copyrights © Since 2021 All Rights Reserved by Chiang Mai Journal of Science