PMID- 35393663
OWN - NLM
STAT- MEDLINE
DCOM- 20220706
LR  - 20220827
IS  - 1439-7641 (Electronic)
IS  - 1439-4235 (Print)
IS  - 1439-4235 (Linking)
VI  - 23
IP  - 13
DP  - 2022 Jul 5
TI  - A Response Surface Model to Predict and Experimentally Tune the Chemical, 
      Magnetic and Optoelectronic Properties of Oxygen-Doped Boron Nitride.
PG  - e202100854
LID - 10.1002/cphc.202100854 [doi]
LID - e202100854
AB  - Porous boron nitride (BN), a combination of hexagonal, turbostratic and amorphous 
      BN, has emerged as a new platform photocatalyst. Yet, this material lacks 
      photoactivity under visible light. Theoretical studies predict that tuning the 
      oxygen content in oxygen-doped BN (BNO) could lower the band gap. This is yet to 
      be verified experimentally. We present herein a systematic experimental route to 
      simultaneously tune BNO's chemical, magnetic and optoelectronic properties using 
      a multivariate synthesis parameter space. We report deep visible range band gaps 
      (1.50-2.90 eV) and tuning of the oxygen (2-14 at.%) and specific paramagnetic 
      OB(3) contents (7-294 a.u. g(-1) ). Through designing a response surface via a 
      design of experiments (DOE) process, we have identified synthesis parameters 
      influencing BNO's chemical, magnetic and optoelectronic properties. We also 
      present model prediction equations relating these properties to the synthesis 
      parameter space that we have validated experimentally. This methodology can help 
      tailor and optimise BN materials for heterogeneous photocatalysis.
CI  - (c) 2022 The Authors. ChemPhysChem published by Wiley-VCH GmbH.
FAU - Shankar, Ravi B
AU  - Shankar RB
AD  - Barrer Centre, Department of Chemical Engineering, Imperial College London, South 
      Kensington Campus, Exhibition Road, London, SW7 2AZ, United Kingdom.
FAU - Mistry, Elan D R
AU  - Mistry EDR
AD  - Department of Chemistry, Imperial College London, South Kensington Campus, 
      Exhibition Road, London, SW7 2AZ, United Kingdom.
AD  - Current address: Department of Chemical Engineering, University College London, 
      London, WC1E 7JE, United Kingdom.
FAU - Lubert-Perquel, Daphne
AU  - Lubert-Perquel D
AD  - London Centre for Nanotechnology and Department of Materials, Imperial College 
      London, South Kensington Campus, Prince's Consort Road, London, SW7 2BP, United 
      Kingdom.
AD  - Current address: National High Magnetic Field Laboratory, Tallahassee, FL 32306, 
      U.S.A.
AD  - Department of Physics, University of Florida, Gainesville, FL 32611, U.S.A.
FAU - Nevjestic, Irena
AU  - Nevjestic I
AD  - London Centre for Nanotechnology and Department of Materials, Imperial College 
      London, South Kensington Campus, Prince's Consort Road, London, SW7 2BP, United 
      Kingdom.
FAU - Heutz, Sandrine
AU  - Heutz S
AD  - London Centre for Nanotechnology and Department of Materials, Imperial College 
      London, South Kensington Campus, Prince's Consort Road, London, SW7 2BP, United 
      Kingdom.
FAU - Petit, Camille
AU  - Petit C
AUID- ORCID: 0000-0002-3722-7984
AD  - Barrer Centre, Department of Chemical Engineering, Imperial College London, South 
      Kensington Campus, Exhibition Road, London, SW7 2AZ, United Kingdom.
LA  - eng
GR  - 1855454/EPSRC/
GR  - EP/P030548/1/EPSRC/
GR  - 850624/ERC/
GR  - EPSRC/
GR  - 1855454/Doctoral Partnership fund/
GR  - EP/P030548/1/SPIN-Lab/
GR  - 850624/ERC Starting Grant THEIA/
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20220519
PL  - Germany
TA  - Chemphyschem
JT  - Chemphyschem : a European journal of chemical physics and physical chemistry
JID - 100954211
RN  - 0 (Boron Compounds)
RN  - 2U4T60A6YD (boron nitride)
RN  - 7782-42-5 (Graphite)
RN  - S88TT14065 (Oxygen)
SB  - IM
MH  - Boron Compounds/chemistry
MH  - *Graphite/chemistry
MH  - Magnetic Phenomena
MH  - Oxygen/chemistry
PMC - PMC9400848
OTO - NOTNLM
OT  - EPR spectroscopy
OT  - band gap
OT  - boron nitride
OT  - design of experiments
OT  - doping
COIS- The authors declare no conflict of interest.
EDAT- 2022/04/09 06:00
MHDA- 2022/07/07 06:00
PMCR- 2022/08/24
CRDT- 2022/04/08 05:33
PHST- 2022/03/06 00:00 [revised]
PHST- 2021/12/01 00:00 [received]
PHST- 2022/04/09 06:00 [pubmed]
PHST- 2022/07/07 06:00 [medline]
PHST- 2022/04/08 05:33 [entrez]
PHST- 2022/08/24 00:00 [pmc-release]
AID - CPHC202100854 [pii]
AID - 10.1002/cphc.202100854 [doi]
PST - ppublish
SO  - Chemphyschem. 2022 Jul 5;23(13):e202100854. doi: 10.1002/cphc.202100854. Epub 
      2022 May 19.