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Carbon Quantum Dots for Sustainable Energy and Optoelectronics Woodhead Publishing Series in Electronic and Optical Materials Carbon Quantum Dots for Sustainable Energy and Optoelectronics Edited by Sudip Kumar Batabyal Basudev Pradhan Kallol Mohanta Rama Ranjan Bhattacharjee Amit Banerjee WoodheadPublishingisanimprintofElsevier 50HampshireStreet,5thFloor,Cambridge,MA02139,UnitedStates TheBoulevard,LangfordLane,Kidlington,OX51GB,UnitedKingdom Copyright©2023ElsevierLtd.Allrightsreserved. Nopartofthispublicationmaybereproducedortransmittedinanyformorbyanymeans, electronicormechanical,includingphotocopying,recording,oranyinformationstorageand retrievalsystem,withoutpermissioninwritingfromthepublisher.Detailsonhowtoseek permission,furtherinformationaboutthePublisher’spermissionspoliciesandour arrangementswithorganizationssuchastheCopyrightClearanceCenterandtheCopyright LicensingAgency,canbefoundatourwebsite:www.elsevier.com/permissions. Thisbookandtheindividualcontributionscontainedinitareprotectedundercopyrightby thePublisher(otherthanasmaybenotedherein). Notices Knowledgeandbestpracticeinthisfieldareconstantlychanging.Asnewresearchand experiencebroadenourunderstanding,changesinresearchmethods,professionalpractices, ormedicaltreatmentmaybecomenecessary. Practitionersandresearchersmustalwaysrelyontheirownexperienceandknowledgein evaluatingandusinganyinformation,methods,compounds,orexperimentsdescribed herein.Inusingsuchinformationormethodstheyshouldbemindfuloftheirownsafety andthesafetyofothers,includingpartiesforwhomtheyhaveaprofessionalresponsibility. Tothefullestextentofthelaw,neitherthePublishernortheauthors,contributors,or editors,assumeanyliabilityforanyinjuryand/ordamagetopersonsorpropertyasamatter ofproductsliability,negligenceorotherwise,orfromanyuseoroperationofanymethods, products,instructions,orideascontainedinthematerialherein. ISBN:978-0-323-90895-5(print) ISBN:978-0-323-90896-2(online) ForinformationonallWoodheadPublishingpublications visitourwebsiteathttps://www.elsevier.com/books-and-journals Publisher:MatthewDeans AcquisitionsEditor:KaylaDosSantos EditorialProjectManager:SaraGreco ProductionProjectManager:AnithaSivaraj CoverDesigner:MilesHitchen TypesetbyMPSLimited,Chennai,India List of contributors Azrina Abd Aziz Faculty of Civil Engineering Technology, Universiti Malaysia Pahang,Kuantan,Pahang,Malaysia Christabel Adjah-Tetteh Institute for Materials Research and Innovation, University of Louisiana at Lafayette, Lafayette, LA, United States; Department of Chemical Engineering, University of Louisiana at Lafayette, Lafayette, LA, United States Daksh Agarwal Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA, United States; Lam Research Corporation, Fremont,CA,UnitedStates Erin U. Antia Institute for Materials Research and Innovation, University of Louisiana at Lafayette, Lafayette, LA, United States; Department of Chemical Engineering,UniversityofLouisianaatLafayette,Lafayette,LA,UnitedStates Aditya Banerjee Amity Institute of Applied Science, Amity University, Noida, UttarPradesh,India Amit Banerjee Physics Department, Bidhan Chandra College, Asansol, West Bengal,India Suranjana Banerjee Department of Electronics, Dum Dum Motijheel College, DumDum,Kolkata,WestBengal,India Sudip K. Batabyal Department of Sciences, Amrita School of Engineering Coimbatore, Amrita Vishwa Vidyapeetham, Coimbatore, Tamil Nadu, India; Amrita Centre for Industrial Research and Innovation (ACIRI), Amrita School of Engineering Coimbatore, Amrita Vishwa Vidyapeetham, Coimbatore, Tamil Nadu, India Lopamudra Bhattacharjee PSG Institute of Advanced Studies, Coimbatore, TamilNadu,India Rama Ranjan Bhattacharjee Department of Chemistry, Sister Nivedita University,Kolkata,WestBengal,India xiv Listofcontributors Jaydeep Bhattacharya NanoBiotechnology Lab, School of Biotechnology, JawaharlalNehruUniversity,NewDelhi,Delhi,India Ashkan Momeni Bidzard Department of Basic Sciences, Abadan Faculty of PetroleumEngineering,PetroleumUniversityofTechnology,Abadan,Iran S. Charis Caroline Department of Sciences, Amrita School of Engineering Coimbatore,AmritaVishwaVidyapeetham,Coimbatore,TamilNadu,India Arup Chakraborty Department of Chemistry, Institute of Nanotechnology and AdvancedMaterials,Bar-IlanUniversity,RamatGan,Israel Barsha Chakraborty Bionanotechnology Lab, Department of Chemistry, Indian InstituteofScienceEducationandResearchBhopal,Bhopal,MadhyaPradesh,India Oendrila Chatterjee Bionanotechnology Lab, Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhopal, Madhya Pradesh, India Soumyo Chatterjee School of Physical Sciences (SPS), Indian Association for the CultivationofScience(IACS),Jadavpur,Kolkata,WestBengal,India Nikhil Dole Department of Electrical and Computer Engineering, University of Houston,Houston,TX,UnitedStates Tanoy Dutta Bionanotechnology Lab, Department of Chemistry, Indian Institute ofScienceEducationandResearchBhopal,Bhopal,MadhyaPradesh,India Manas Ranjan Gartia Department of Mechanical and Industrial Engineering, LouisianaStateUniversity,BatonRouge,LA,UnitedStates Morteza Sasani Ghamsari Photonics and Quantum Technologies Research School,NuclearScienceandTechnologyResearchInstitute,Tehran,Iran Bharat Kumar Gupta Department of Physics, Deen Dayal Upadhyay Gorakhpur University,Gorakhpur,UttarPradesh,India Apurba Lal Koner Bionanotechnology Lab, Department of Chemistry, Indian InstituteofScienceEducationandResearchBhopal,Bhopal,MadhyaPradesh,India Nikhil Kumar Department of Physics, Deen Dayal Upadhyay Gorakhpur University,Gorakhpur,UttarPradesh,India Prashant Kumar Department of Energy Engineering, Central University of Jharkhand,Ranchi,Jharkhand,India Listofcontributors xv Sandeep Kumar Department of Energy Engineering, Central University of Jharkhand,Ranchi,Jharkhand,India Akanksha Kumari Amity Institute of Integrative Science and Health, Amity UniversityGurgaon,Panchgaon,Haryana,India Kah Hon Leong Department of Environmental Engineering, Faculty of Engineering and Green Technology, Universiti Tunku Abdul Rahman, Jalan Universiti,Kampar,Perak,Malaysia Ashwathi A. Madhavan NanoBiotechnology Lab, School of Biotechnology, JawaharlalNehruUniversity,NewDelhi,Delhi,India Arup Mahapatra Department of Energy Engineering, Central University of Jharkhand, Ranchi, Jharkhand, India; Centre of Excellence (CoE) in Green and Efficient Energy Technology (GEET), Central University of Jharkhand, Ranchi, Jharkhand,India Tanmoy Majumder Department of Physics, National Institute of Technology, Agartala, Tripura, India; Department of Electronics and Communication Engineering,TripuraInstituteofTechnology,Agartala,Tripura,India Sourav Mitra Institute for Functional Intelligent Materials, National University of Singapore,Singapore,Singapore Kallol Mohanta PSG Institute of Advanced Studies, Coimbatore, Tamil Nadu, India; Nanotech Research Innovation and Incubation Centre (NRIIC), PSG Institute ofAdvancedStudies(PSGIAS),Peelamedu,Coimbatore,TamilNadu,India Suvra Prakash Mondal Department of Physics, National Institute of Technology, Agartala,Tripura,India Minhaj Uddin Monir Department of Petroleum and Mining Engineering, Jashore UniversityofScienceandTechnology,Jashore,Bangladesh Ranjita Ghosh Moulick Amity Institute of Integrative Science and Health, Amity UniversityGurgaon,Panchgaon,Haryana,India Supratik Mukhopadhyay Department of Environmental Sciences, Louisiana State University,BatonRouge,LA,UnitedStates Pardhasaradhi Nandigana CSIR–EMF Division, Central Electrochemical Research Institute, Karaikudi, Tamil Nadu, India; Academy of Scientific & InnovativeResearch(AcSIR),Ghaziabad,UttarPradesh,India Nagapradeep Nidamanuri Department of Chemistry, Middle East Technological University,Ankara,Turkey xvi Listofcontributors Umi Rabiatul Ramzilah P. Remli Faculty of Civil Engineering Technology, UniversitiMalaysiaPahang,Kuantan,Pahang,Malaysia Subhendu K. Panda CSIR–EMF Division, Central Electrochemical Research Institute, Karaikudi, Tamil Nadu, India; Academy of Scientific & Innovative Research(AcSIR),Ghaziabad,UttarPradesh,India Basudev Pradhan Department of Energy Engineering, Central University of Jharkhand, Ranchi, Jharkhand, India; Centre of Excellence (CoE) in Green and Efficient Energy Technology (GEET), Central University of Jharkhand, Ranchi, Jharkhand,India Ankita Saha Amity School of Applied Sciences, Amity University, Kolkata, West Bengal,India Sushant P. Sahu Department of Chemistry, University of Louisiana at Lafayette, Lafayette,LA,UnitedStates Lan Ching Sim Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Kajang, Selangor, Malaysia Ryan Simon Department of Chemistry, University of Louisiana at Lafayette, Lafayette,LA,UnitedStates VidyadharSingh DepartmentofPhysics,JaiPrakashUniversity,Chapra,Bihar,India Sumit K. Sonkar Department of Chemistry, Malaviya National Institute of Technology,Jaipur,Rajasthan,India P. Sriram CSIR–EMF Division, Central Electrochemical Research Institute, Karaikudi, Tamil Nadu, India; Academy of Scientific & Innovative Research (AcSIR),Ghaziabad,UttarPradesh,India M. Shiva Subramani Nanotech Research Innovation and Incubation Centre (NRIIC), PSG Institute of Advanced Studies (PSG IAS), Peelamedu, Coimbatore, TamilNadu,India Sujatha D. CSIR–EMF Division, Central Electrochemical Research Institute, Karaikudi, Tamil Nadu, India; Academy of Scientific & Innovative Research (AcSIR),Ghaziabad,UttarPradesh,India Tam Tran Institute for Materials Research and Innovation, University of Louisiana at Lafayette, Lafayette, LA, United States; Department of Chemical Engineering,UniversityofLouisianaatLafayette,Lafayette,LA,UnitedStates Listofcontributors xvii Ravi P.N. Tripathi Department of Physics, Jai Prakash University, Chapra, Bihar, India Yu Wang Department of Chemistry, University of Louisiana at Lafayette, Lafayette, LA, United States; Institute for Materials Research and Innovation, UniversityofLouisianaatLafayette,Lafayette,LA,UnitedStates Yudong Wang Institute for Materials Research and Innovation, University of Louisiana at Lafayette, Lafayette, LA, United States; Department of Chemical Engineering,UniversityofLouisianaatLafayette,Lafayette,LA,UnitedStates Guanguang Xia Institute for Materials Research and Innovation, University of Louisiana at Lafayette, Lafayette, LA, United States; Department of Chemical Engineering,UniversityofLouisianaatLafayette,Lafayette,LA,UnitedStates Xiao-Dong Zhou Institute for Materials Research and Innovation, University of Louisiana at Lafayette, Lafayette, LA, United States; Department of Chemical Engineering,UniversityofLouisianaatLafayette,Lafayette,LA,UnitedStates Contents Listofcontributors xiii Preface xix 1 Photophysicalpropertiesofcarbonquantumdots 1 TanoyDutta,OendrilaChatterjee,BarshaChakrabortyand ApurbaLalKoner 1.1 Introduction 1 1.2 Opticalabsorptionpropertiesofcarbonquantumdots 2 1.3 Factorsinfluencingthephotoluminescencepropertiesof carbonquantumdots 4 1.3.1 Quantumconfinementeffect 4 1.3.2 Dopingnonmetallicheteroatoms 5 1.3.3 Localheterogeneityoriginatedfromheteroatom-mediated surfacedefects 8 1.3.4 Influenceofedgestates 8 1.3.5 Rededgeeffect 9 1.3.6 Surfacedefectstates 11 1.3.7 Aggregation-inducedemissionincarbonquantumdots 12 1.3.8 Fo¨rsterresonance energytransfer 20 1.3.9 Photoinducedelectrontransfer 22 1.3.10 Electroluminescenceofcarbondots 23 1.4 Conclusionsandfutureaspect 25 References 26 2 Thephysicalandchemicalpropertiesofcarbondotsvia computationalmodeling 29 ArupChakraborty 2.1 Introduction 29 2.2 Differentcarbondots 29 2.3 Computationalmethodsappliedtostudythepropertiesof carbondots 31 2.4 Theoretical studiesofdifferentpropertiesofcarbonquantumdots 32 2.4.1 Electronic structure 32 2.4.2 Opticalproperties 33 2.4.3 Electrocatalyticproperties 35 2.4.4 Transportproperties 36 2.4.5 Kondoeffectincarbonquantumdots 36