PMID- 31796357
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20200311
LR  - 20200311
IS  - 1873-3336 (Electronic)
IS  - 0304-3894 (Linking)
VI  - 388
DP  - 2020 Apr 15
TI  - Unravelling the distinct surface interactions of modified graphene nanostructures 
      with methylene blue dye through experimental and computational approaches.
PG  - 121755
LID - S0304-3894(19)31709-1 [pii]
LID - 10.1016/j.jhazmat.2019.121755 [doi]
AB  - Nanoscopic modifications leading to multi-dimensional graphene structures are 
      known to significantly influence their candidature for several applications 
      including catalysis, energy storage, molecular sensing and most significantly 
      adsorption and remediation of harmful materials such as dyes. The present work 
      attempts to identify the key trajectories that connect the structural 
      qualification with a chosen application, viz., the interactive forces in dye 
      remediation. Various physico-chemically Modified Graphene Nanostructures (MGNs) 
      such as 2 dimensional Graphite, Graphene Oxide (GO), reduced GO (rGO), holey rGO, 
      and 3 dimensional GO hydrogel and Holey GO hydrogel are chosen and synthesised 
      herein. These represent varieties of physicochemical features with respect to 
      their dimensionality, surface features such as oxygen functionality, nanoscopic 
      holes etc., that contribute to their characteristic overall surface interactions. 
      Methylene Blue (MB), a popular industrial effluent posing major environmental 
      concern is chosen to be a probe adsorbate in this case study. An exclusive real 
      time in-situ UV visible spectral experiment provides the revealing reasons behind 
      the outstanding performance of 2D GO sheets with an adsorption capacity of 
      greater than 92 % even at high MB concentrations (>2000 ppm). A complex 
      dependency of various factors such as surface oxygen, morphology, nanoporosity 
      etc. on the unique overall interaction with an adsorbent such as MB by all these 
      adsorbates is demonstrated using experimental and DFT based computational 
      studies. Electrostatics and hydrogen bonding are understood to be the two 
      dominant forces driving the MB adsorption on the best performing GO here.
CI  - Copyright (c) 2019 Elsevier B.V. All rights reserved.
FAU - Manappadan, Zinoy
AU  - Manappadan Z
AD  - Nano and Computational Materials Lab, Catalysis Division, CSIR-National Chemical 
      Laboratory, Pune, 411008, India; Academy of Scientific and Innovative Research, 
      CSIR- Human Resource Development Centre (CSIR-HRDC) Campus, Postal Staff College 
      Area, Ghaziabad, 201 002, Uttar Pradesh, India.
FAU - Kumar, Shubham
AU  - Kumar S
AD  - Nano and Computational Materials Lab, Catalysis Division, CSIR-National Chemical 
      Laboratory, Pune, 411008, India.
FAU - Joshi, Krati
AU  - Joshi K
AD  - Functional Materials Division, CSIR-Central Electrochemical Research Institute, 
      Karaikudi, 630003, India; Academy of Scientific and Innovative Research, CSIR- 
      Human Resource Development Centre (CSIR-HRDC) Campus, Postal Staff College Area, 
      Ghaziabad, 201 002, Uttar Pradesh, India.
FAU - Govindaraja, Thillai
AU  - Govindaraja T
AD  - Nano and Computational Materials Lab, Catalysis Division, CSIR-National Chemical 
      Laboratory, Pune, 411008, India.
FAU - Krishnamurty, Sailaja
AU  - Krishnamurty S
AD  - Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, 
      Pune, 411008, India; Academy of Scientific and Innovative Research, CSIR- Human 
      Resource Development Centre (CSIR-HRDC) Campus, Postal Staff College Area, 
      Ghaziabad, 201 002, Uttar Pradesh, India.
FAU - Selvaraj, Kaliaperumal
AU  - Selvaraj K
AD  - Nano and Computational Materials Lab, Catalysis Division, CSIR-National Chemical 
      Laboratory, Pune, 411008, India; Academy of Scientific and Innovative Research, 
      CSIR- Human Resource Development Centre (CSIR-HRDC) Campus, Postal Staff College 
      Area, Ghaziabad, 201 002, Uttar Pradesh, India. Electronic address: 
      k.selvaraj@ncl.res.in.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20191126
PL  - Netherlands
TA  - J Hazard Mater
JT  - Journal of hazardous materials
JID - 9422688
SB  - IM
OTO - NOTNLM
OT  - Density Functional Theory
OT  - In-situ UV-vis spectroscopy
OT  - Interactions
OT  - Methylene Blue
OT  - Modified Graphene Nanostructures
COIS- Declaration of Competing Interest The authors declare that they have no known 
      competing financial interests or personal relationships that could have appeared 
      to influence the work reported in this paper.
EDAT- 2019/12/05 06:00
MHDA- 2019/12/05 06:01
CRDT- 2019/12/05 06:00
PHST- 2019/04/18 00:00 [received]
PHST- 2019/11/22 00:00 [revised]
PHST- 2019/11/23 00:00 [accepted]
PHST- 2019/12/05 06:00 [pubmed]
PHST- 2019/12/05 06:01 [medline]
PHST- 2019/12/05 06:00 [entrez]
AID - S0304-3894(19)31709-1 [pii]
AID - 10.1016/j.jhazmat.2019.121755 [doi]
PST - ppublish
SO  - J Hazard Mater. 2020 Apr 15;388:121755. doi: 10.1016/j.jhazmat.2019.121755. Epub 
      2019 Nov 26.