2025
|
Ramasubramanian, Brindha; Reddy, Vundrala Sumedha; Ye, Zhen; Peng, Goh Wei; Le, Yang; Ramakrishna, Seeram; Chellappan, Vijila Flexible Nanocarbon Electrodes for Holistically Engineered Solar Cell
and Battery Integrated Piezoresistive Sensor ENERGY TECHNOLOGY, 13 (7), 2025, DOI: 10.1002/ente.202400991. Abstract | BibTeX | Endnote @article{WOS:001295161900001,
title = {Flexible Nanocarbon Electrodes for Holistically Engineered Solar Cell
and Battery Integrated Piezoresistive Sensor},
author = {Brindha Ramasubramanian and Vundrala Sumedha Reddy and Zhen Ye and Goh Wei Peng and Yang Le and Seeram Ramakrishna and Vijila Chellappan},
doi = {10.1002/ente.202400991},
times_cited = {0},
issn = {2194-4288},
year = {2025},
date = {2025-07-01},
journal = {ENERGY TECHNOLOGY},
volume = {13},
number = {7},
publisher = {WILEY-V C H VERLAG GMBH},
address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY},
abstract = {Herein, a sustainable graphitic carbon derived from waste polystyrene
plastics (PS-G) has been developed and a proof of concept for the
integration of organic solar cells, Al-ion batteries, and piezoresistive
sensors based on PS-G electrodes has been provided. First, a flexible
organic solar cell (OSC) with the PS-G interfacial layer between the
photoactive material and the Al metal has enhanced charge extraction
mobility with a power conversion efficiency (PCE) of 3.5%. A new range
of possibilities in metal:semiconductor:carbon:metal contact and
interfacial tuning in OSCs are made possible by the fact that pure PS-G
without Al can successfully extract electrons with a PCE of 0.89%.
Second, when used as the cathode in an Al-carbon battery, PS-G
demonstrates a specific capacity of 148 mAh g(-1) at 50 mA g(-1). At
different current densities, PS-G cathodes demonstrate high cycling
stability (with 65% capacity retention over 100 cycles). Finally, the
best of the fabricated OSCs and the Al-carbon batteries are then
combined with a piezoresistive sensor that includes an active PS-G
electrode. The battery-powered sensor has a resistance of 40-45 x 104
Omega while the solar-powered sensor has a resistance of 32-35 x 104
Omega, when subjected to mechanical stimuli, with a tensile strength of
20 N.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Herein, a sustainable graphitic carbon derived from waste polystyrene
plastics (PS-G) has been developed and a proof of concept for the
integration of organic solar cells, Al-ion batteries, and piezoresistive
sensors based on PS-G electrodes has been provided. First, a flexible
organic solar cell (OSC) with the PS-G interfacial layer between the
photoactive material and the Al metal has enhanced charge extraction
mobility with a power conversion efficiency (PCE) of 3.5%. A new range
of possibilities in metal:semiconductor:carbon:metal contact and
interfacial tuning in OSCs are made possible by the fact that pure PS-G
without Al can successfully extract electrons with a PCE of 0.89%.
Second, when used as the cathode in an Al-carbon battery, PS-G
demonstrates a specific capacity of 148 mAh g(-1) at 50 mA g(-1). At
different current densities, PS-G cathodes demonstrate high cycling
stability (with 65% capacity retention over 100 cycles). Finally, the
best of the fabricated OSCs and the Al-carbon batteries are then
combined with a piezoresistive sensor that includes an active PS-G
electrode. The battery-powered sensor has a resistance of 40-45 x 104
Omega while the solar-powered sensor has a resistance of 32-35 x 104
Omega, when subjected to mechanical stimuli, with a tensile strength of
20 N. - FNClarivate Analytics Web of Science
- VR1.0
- PTJ
- AFBrindha Ramasubramanian
Vundrala Sumedha Reddy
Zhen Ye
Goh Wei Peng
Yang Le
Seeram Ramakrishna
Vijila Chellappan
- TIFlexible Nanocarbon Electrodes for Holistically Engineered Solar Cell
and Battery Integrated Piezoresistive Sensor - SOENERGY TECHNOLOGY
- DTArticle
- ABHerein, a sustainable graphitic carbon derived from waste polystyrene
plastics (PS-G) has been developed and a proof of concept for the
integration of organic solar cells, Al-ion batteries, and piezoresistive
sensors based on PS-G electrodes has been provided. First, a flexible
organic solar cell (OSC) with the PS-G interfacial layer between the
photoactive material and the Al metal has enhanced charge extraction
mobility with a power conversion efficiency (PCE) of 3.5%. A new range
of possibilities in metal:semiconductor:carbon:metal contact and
interfacial tuning in OSCs are made possible by the fact that pure PS-G
without Al can successfully extract electrons with a PCE of 0.89%.
Second, when used as the cathode in an Al-carbon battery, PS-G
demonstrates a specific capacity of 148 mAh g(-1) at 50 mA g(-1). At
different current densities, PS-G cathodes demonstrate high cycling
stability (with 65% capacity retention over 100 cycles). Finally, the
best of the fabricated OSCs and the Al-carbon batteries are then
combined with a piezoresistive sensor that includes an active PS-G
electrode. The battery-powered sensor has a resistance of 40-45 x 104
Omega while the solar-powered sensor has a resistance of 32-35 x 104
Omega, when subjected to mechanical stimuli, with a tensile strength of
20 N. - Z90
- PUWILEY-V C H VERLAG GMBH
- PAPOSTFACH 101161, 69451 WEINHEIM, GERMANY
- SN2194-4288
- VL13
- DI10.1002/ente.202400991
- UTWOS:001295161900001
- ER
- EF
|
Ramasubramanian, Brindha; Kumar, Pawan; Koperski, Maciej; Reddy, M V; Ramakrishna, Seeram; Zaghib, Karim; Chellappan, Vijila Boosting hybrid capacitive-intercalative Al-ion storage with N-F doped
nanocarbon electrodes JOURNAL OF POWER SOURCES, 643 , 2025, DOI: 10.1016/j.jpowsour.2025.237012. Abstract | BibTeX | Endnote @article{WOS:001471649600001,
title = {Boosting hybrid capacitive-intercalative Al-ion storage with N-F doped
nanocarbon electrodes},
author = {Brindha Ramasubramanian and Pawan Kumar and Maciej Koperski and M V Reddy and Seeram Ramakrishna and Karim Zaghib and Vijila Chellappan},
doi = {10.1016/j.jpowsour.2025.237012},
times_cited = {0},
issn = {0378-7753},
year = {2025},
date = {2025-07-01},
journal = {JOURNAL OF POWER SOURCES},
volume = {643},
publisher = {ELSEVIER},
address = {RADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS},
abstract = {Aluminum-ion (Al-ion) storage with carbon cathode provides a lightweight
and cost-effective alternative to lithium-ion batteries due to the
hybrid charge storage mechanism, combining intercalation of aluminum
ions (Al3+) and polyatomic ions (Al2Cl7-) with the inherent capacitive
behavior of carbon. This study explores the influence of gas doping on
the structural and electrochemical properties of nanoporous carbon
(NPC). Pristine doping with nitrogen (N) and argon (Ar) results in NPC
with limited surface porosity, while N-F doping significantly improves
structural characteristics, yielding NPC with a high surface area of
3048 m(2) g(-1) and uniformly distributed pores (25-130 nm). This
enhanced porosity provides abundant active sites for hybrid charge
storage, facilitating both ion intercalation and pseudocapacitive
mechanisms. The Al-ion device (Al|AlCl3EMImCl|N-F doped NPC) achieves a
specific capacity of 197 mAh g(-1) at 0.5 A g(-1), with 97 % coulombic
efficiency over 25 cycles. This performance arises from efficient ion
adsorption and partial redox reactions involving Al3+ and Al2Cl7- ions.
Pseudocapacitive behavior is particularly evident at low frequencies,
where the phase angle (phi) approaches 90 degrees and cyclic stability
challenges persist due to Al3+ ion trapping at the NPC-electrolyte
interface.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Aluminum-ion (Al-ion) storage with carbon cathode provides a lightweight
and cost-effective alternative to lithium-ion batteries due to the
hybrid charge storage mechanism, combining intercalation of aluminum
ions (Al3+) and polyatomic ions (Al2Cl7-) with the inherent capacitive
behavior of carbon. This study explores the influence of gas doping on
the structural and electrochemical properties of nanoporous carbon
(NPC). Pristine doping with nitrogen (N) and argon (Ar) results in NPC
with limited surface porosity, while N-F doping significantly improves
structural characteristics, yielding NPC with a high surface area of
3048 m(2) g(-1) and uniformly distributed pores (25-130 nm). This
enhanced porosity provides abundant active sites for hybrid charge
storage, facilitating both ion intercalation and pseudocapacitive
mechanisms. The Al-ion device (Al|AlCl3EMImCl|N-F doped NPC) achieves a
specific capacity of 197 mAh g(-1) at 0.5 A g(-1), with 97 % coulombic
efficiency over 25 cycles. This performance arises from efficient ion
adsorption and partial redox reactions involving Al3+ and Al2Cl7- ions.
Pseudocapacitive behavior is particularly evident at low frequencies,
where the phase angle (phi) approaches 90 degrees and cyclic stability
challenges persist due to Al3+ ion trapping at the NPC-electrolyte
interface. - FNClarivate Analytics Web of Science
- VR1.0
- PTJ
- AFBrindha Ramasubramanian
Pawan Kumar
Maciej Koperski
M V Reddy
Seeram Ramakrishna
Karim Zaghib
Vijila Chellappan
- TIBoosting hybrid capacitive-intercalative Al-ion storage with N-F doped
nanocarbon electrodes - SOJOURNAL OF POWER SOURCES
- DTArticle
- ABAluminum-ion (Al-ion) storage with carbon cathode provides a lightweight
and cost-effective alternative to lithium-ion batteries due to the
hybrid charge storage mechanism, combining intercalation of aluminum
ions (Al3+) and polyatomic ions (Al2Cl7-) with the inherent capacitive
behavior of carbon. This study explores the influence of gas doping on
the structural and electrochemical properties of nanoporous carbon
(NPC). Pristine doping with nitrogen (N) and argon (Ar) results in NPC
with limited surface porosity, while N-F doping significantly improves
structural characteristics, yielding NPC with a high surface area of
3048 m(2) g(-1) and uniformly distributed pores (25-130 nm). This
enhanced porosity provides abundant active sites for hybrid charge
storage, facilitating both ion intercalation and pseudocapacitive
mechanisms. The Al-ion device (Al|AlCl3EMImCl|N-F doped NPC) achieves a
specific capacity of 197 mAh g(-1) at 0.5 A g(-1), with 97 % coulombic
efficiency over 25 cycles. This performance arises from efficient ion
adsorption and partial redox reactions involving Al3+ and Al2Cl7- ions.
Pseudocapacitive behavior is particularly evident at low frequencies,
where the phase angle (phi) approaches 90 degrees and cyclic stability
challenges persist due to Al3+ ion trapping at the NPC-electrolyte
interface. - Z90
- PUELSEVIER
- PARADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS
- SN0378-7753
- VL643
- DI10.1016/j.jpowsour.2025.237012
- UTWOS:001471649600001
- ER
- EF
|
Ramasubramanian, Brindha; Tipparaju, Sai Krishna; Vincent, S; Koperski, Maciej; Chellappan, Vijila; Ramakrishna, Seeram Advances in Nanofiber Cathodes for Aluminum-Ion Batteries ADVANCED FIBER MATERIALS, 7 (2), pp. 414-442, 2025, DOI: 10.1007/s42765-024-00499-1. Abstract | BibTeX | Endnote @article{WOS:001396152300001,
title = {Advances in Nanofiber Cathodes for Aluminum-Ion Batteries},
author = {Brindha Ramasubramanian and Sai Krishna Tipparaju and S Vincent and Maciej Koperski and Vijila Chellappan and Seeram Ramakrishna},
doi = {10.1007/s42765-024-00499-1},
times_cited = {1},
issn = {2524-7921},
year = {2025},
date = {2025-04-01},
journal = {ADVANCED FIBER MATERIALS},
volume = {7},
number = {2},
pages = {414-442},
publisher = {SPRINGERNATURE},
address = {CAMPUS, 4 CRINAN ST, LONDON, N1 9XW, ENGLAND},
abstract = {Rechargeable aluminum-ion batteries (AIBs) possess a higher theoretical
volumetric capacity than lithium-ion batteries (LIBs) and offer a
sustainable, low-cost alternative. However, the performance of AIBs
fails to meet commercial standards due to the challenges experienced
including volume changes caused by interfacial issues, side reactions of
the electrolyte with electrode, and low cyclic stability. These issues
are attributed to the inability of existing cathode materials to perform
effectively. To address these challenges, 1-dimensional (1D) structures,
especially nanofiber (NF) cathodes offer a promising solution due to
their higher aspect ratios, specific surface area, flexibility, and
quantum scale effects. To date, there has been no comparative analysis
of the electrochemical and structural performances of NF based cathodes
in AIBs. Thus, this review focuses on the recent developments in various
transition metal oxides and chalcogenides of (Mo, V, Mn, Ni, Cu, W, Se,
and Co) along with carbon-based NFs as cathodes for AIBs. Challenges
were observed in adopting trivalent Al3+ cations as charge carriers and
maintaining the structural integrity of the cathode. Several novel
approaches have been developed to enhance electrical conductivity,
including the incorporation of the metal oxides/chalcogenides with the
carbon NF substrates, crystallizing the nanoparticles at high
temperatures, and using self-assembly and templating techniques to
create multi-dimensional NF films. Other battery components such as
separators were replaced with carbonaceous structures in the MnSe based
cathodes to increase ion mobility, and Mo current collectors to prevent
dendrites. This review includes prospects aimed at improving performance
and functionality, based on observations from the discussed work and
innovations in AIBs such as compositing, surface functionalization, and
defect engineering through ion doping.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Rechargeable aluminum-ion batteries (AIBs) possess a higher theoretical
volumetric capacity than lithium-ion batteries (LIBs) and offer a
sustainable, low-cost alternative. However, the performance of AIBs
fails to meet commercial standards due to the challenges experienced
including volume changes caused by interfacial issues, side reactions of
the electrolyte with electrode, and low cyclic stability. These issues
are attributed to the inability of existing cathode materials to perform
effectively. To address these challenges, 1-dimensional (1D) structures,
especially nanofiber (NF) cathodes offer a promising solution due to
their higher aspect ratios, specific surface area, flexibility, and
quantum scale effects. To date, there has been no comparative analysis
of the electrochemical and structural performances of NF based cathodes
in AIBs. Thus, this review focuses on the recent developments in various
transition metal oxides and chalcogenides of (Mo, V, Mn, Ni, Cu, W, Se,
and Co) along with carbon-based NFs as cathodes for AIBs. Challenges
were observed in adopting trivalent Al3+ cations as charge carriers and
maintaining the structural integrity of the cathode. Several novel
approaches have been developed to enhance electrical conductivity,
including the incorporation of the metal oxides/chalcogenides with the
carbon NF substrates, crystallizing the nanoparticles at high
temperatures, and using self-assembly and templating techniques to
create multi-dimensional NF films. Other battery components such as
separators were replaced with carbonaceous structures in the MnSe based
cathodes to increase ion mobility, and Mo current collectors to prevent
dendrites. This review includes prospects aimed at improving performance
and functionality, based on observations from the discussed work and
innovations in AIBs such as compositing, surface functionalization, and
defect engineering through ion doping. - FNClarivate Analytics Web of Science
- VR1.0
- PTJ
- AFBrindha Ramasubramanian
Sai Krishna Tipparaju
S Vincent
Maciej Koperski
Vijila Chellappan
Seeram Ramakrishna
- TIAdvances in Nanofiber Cathodes for Aluminum-Ion Batteries
- SOADVANCED FIBER MATERIALS
- DTArticle
- ABRechargeable aluminum-ion batteries (AIBs) possess a higher theoretical
volumetric capacity than lithium-ion batteries (LIBs) and offer a
sustainable, low-cost alternative. However, the performance of AIBs
fails to meet commercial standards due to the challenges experienced
including volume changes caused by interfacial issues, side reactions of
the electrolyte with electrode, and low cyclic stability. These issues
are attributed to the inability of existing cathode materials to perform
effectively. To address these challenges, 1-dimensional (1D) structures,
especially nanofiber (NF) cathodes offer a promising solution due to
their higher aspect ratios, specific surface area, flexibility, and
quantum scale effects. To date, there has been no comparative analysis
of the electrochemical and structural performances of NF based cathodes
in AIBs. Thus, this review focuses on the recent developments in various
transition metal oxides and chalcogenides of (Mo, V, Mn, Ni, Cu, W, Se,
and Co) along with carbon-based NFs as cathodes for AIBs. Challenges
were observed in adopting trivalent Al3+ cations as charge carriers and
maintaining the structural integrity of the cathode. Several novel
approaches have been developed to enhance electrical conductivity,
including the incorporation of the metal oxides/chalcogenides with the
carbon NF substrates, crystallizing the nanoparticles at high
temperatures, and using self-assembly and templating techniques to
create multi-dimensional NF films. Other battery components such as
separators were replaced with carbonaceous structures in the MnSe based
cathodes to increase ion mobility, and Mo current collectors to prevent
dendrites. This review includes prospects aimed at improving performance
and functionality, based on observations from the discussed work and
innovations in AIBs such as compositing, surface functionalization, and
defect engineering through ion doping. - Z91
- PUSPRINGERNATURE
- PACAMPUS, 4 CRINAN ST, LONDON, N1 9XW, ENGLAND
- SN2524-7921
- VL7
- BP414
- EP442
- DI10.1007/s42765-024-00499-1
- UTWOS:001396152300001
- ER
- EF
|
2024
|
Ramasubramanian, Brindha; De, Adrija; Koperski, Maciej; Ramakrishna, Seeram; Chellappan, Vijila State-of-the-Art Carbon Cathodes with Their Intercalation Chemistry,
Performance, and Challenges for Aluminum-Ion Batteries ACS APPLIED ENERGY MATERIALS, 8 (2), pp. 683-698, 2024, DOI: 10.1021/acsaem.4c02431. Abstract | BibTeX | Endnote @article{WOS:001378674200001,
title = {State-of-the-Art Carbon Cathodes with Their Intercalation Chemistry,
Performance, and Challenges for Aluminum-Ion Batteries},
author = {Brindha Ramasubramanian and Adrija De and Maciej Koperski and Seeram Ramakrishna and Vijila Chellappan},
doi = {10.1021/acsaem.4c02431},
times_cited = {5},
issn = {2574-0962},
year = {2024},
date = {2024-12-01},
journal = {ACS APPLIED ENERGY MATERIALS},
volume = {8},
number = {2},
pages = {683-698},
publisher = {AMER CHEMICAL SOC},
address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
abstract = {Aluminum-ion batteries (AIBs) offer several advantages over lithium-ion
batteries including safety, higher energy density, rapid charging,
reduced environmental impact, and scalability. In the case of anodes,
interest in electropositive metals for rechargeable batteries,
particularly aluminum, has surged due to their abundance (8.23 wt % in
earth's crust) and high volumetric capacity (8050 mAh g-1). Concerning
cathodes, various materials are explored for AIBs, including transition
metal oxides (e.g., V2O5, MoO2), sulfides (e.g., SeS, CuS, and MoS),
carbon, and conductive polymers. Among these, carbon remains the ideal
choice due to its work function compatibility with aluminum, stability,
high conductivity, anion intercalation capability, and scalability,
despite the low intercalation capacity of graphite and its limiting
energy density and limiting energy density. In this review, we elaborate
the current progress and challenges in utilizing different carbon
materials for aluminum and chloride ion intercalation realized since
2015, focusing on graphite, carbon composites, carbon nanotubes (CNTs),
and other nanostructured carbons. We analyzed the trade-offs and
challenges in optimizing these electrodes, including balancing energy
density, cycling stability, addressing structural degradation, and
managing electrode swelling. The focus of this review was placed on the
strategies to overcome these hurdles, such as the utilization of
nanoscale composites, conductive additives, and development of
hierarchical architectures, along with recent advancements in their
synthesis methods, different electrode morphology, and functional
coatings to enhance the stability of carbon. Investigation into
high-energy cathodes leveraging triple-ion intercalation chemistry (Al3+
ion) holds promise for advancing sustainable battery technology.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Aluminum-ion batteries (AIBs) offer several advantages over lithium-ion
batteries including safety, higher energy density, rapid charging,
reduced environmental impact, and scalability. In the case of anodes,
interest in electropositive metals for rechargeable batteries,
particularly aluminum, has surged due to their abundance (8.23 wt % in
earth's crust) and high volumetric capacity (8050 mAh g-1). Concerning
cathodes, various materials are explored for AIBs, including transition
metal oxides (e.g., V2O5, MoO2), sulfides (e.g., SeS, CuS, and MoS),
carbon, and conductive polymers. Among these, carbon remains the ideal
choice due to its work function compatibility with aluminum, stability,
high conductivity, anion intercalation capability, and scalability,
despite the low intercalation capacity of graphite and its limiting
energy density and limiting energy density. In this review, we elaborate
the current progress and challenges in utilizing different carbon
materials for aluminum and chloride ion intercalation realized since
2015, focusing on graphite, carbon composites, carbon nanotubes (CNTs),
and other nanostructured carbons. We analyzed the trade-offs and
challenges in optimizing these electrodes, including balancing energy
density, cycling stability, addressing structural degradation, and
managing electrode swelling. The focus of this review was placed on the
strategies to overcome these hurdles, such as the utilization of
nanoscale composites, conductive additives, and development of
hierarchical architectures, along with recent advancements in their
synthesis methods, different electrode morphology, and functional
coatings to enhance the stability of carbon. Investigation into
high-energy cathodes leveraging triple-ion intercalation chemistry (Al3+
ion) holds promise for advancing sustainable battery technology. - FNClarivate Analytics Web of Science
- VR1.0
- PTJ
- AFBrindha Ramasubramanian
Adrija De
Maciej Koperski
Seeram Ramakrishna
Vijila Chellappan
- TIState-of-the-Art Carbon Cathodes with Their Intercalation Chemistry,
Performance, and Challenges for Aluminum-Ion Batteries - SOACS APPLIED ENERGY MATERIALS
- DTArticle
- ABAluminum-ion batteries (AIBs) offer several advantages over lithium-ion
batteries including safety, higher energy density, rapid charging,
reduced environmental impact, and scalability. In the case of anodes,
interest in electropositive metals for rechargeable batteries,
particularly aluminum, has surged due to their abundance (8.23 wt % in
earth's crust) and high volumetric capacity (8050 mAh g-1). Concerning
cathodes, various materials are explored for AIBs, including transition
metal oxides (e.g., V2O5, MoO2), sulfides (e.g., SeS, CuS, and MoS),
carbon, and conductive polymers. Among these, carbon remains the ideal
choice due to its work function compatibility with aluminum, stability,
high conductivity, anion intercalation capability, and scalability,
despite the low intercalation capacity of graphite and its limiting
energy density and limiting energy density. In this review, we elaborate
the current progress and challenges in utilizing different carbon
materials for aluminum and chloride ion intercalation realized since
2015, focusing on graphite, carbon composites, carbon nanotubes (CNTs),
and other nanostructured carbons. We analyzed the trade-offs and
challenges in optimizing these electrodes, including balancing energy
density, cycling stability, addressing structural degradation, and
managing electrode swelling. The focus of this review was placed on the
strategies to overcome these hurdles, such as the utilization of
nanoscale composites, conductive additives, and development of
hierarchical architectures, along with recent advancements in their
synthesis methods, different electrode morphology, and functional
coatings to enhance the stability of carbon. Investigation into
high-energy cathodes leveraging triple-ion intercalation chemistry (Al3+
ion) holds promise for advancing sustainable battery technology. - Z95
- PUAMER CHEMICAL SOC
- PA1155 16TH ST, NW, WASHINGTON, DC 20036 USA
- SN2574-0962
- VL8
- BP683
- EP698
- DI10.1021/acsaem.4c02431
- UTWOS:001378674200001
- ER
- EF
|
Xiao, Yonghao; Choudhuri, Khokan; Thanetchaiyakup, Adisak; Chan, Wei Xin; Hu, Xinwen; Sadek, Mansour; Tam, Ying Hern; Loh, Ryan Guanying; Mohammed, Sharifah Nadhirah Binte Shaik; Lim, Kendric Jian Ying; Ten, Ju Zheng; Garcia, Felipe; Chellappan, Vijila; Choksi, Tej S; Lim, Yee-Fun; Soo, Han Sen Machine-Learning-Assisted Discovery of Mechanosynthesized Lead-Free
Metal Halide Perovskites for the Oxidative Photocatalytic Cleavage of
Alkenes 11 ADVANCED SCIENCE, 11 (29), 2024, DOI: 10.1002/advs.202309714. Abstract | BibTeX | Endnote @article{WOS:001233250900001,
title = {Machine-Learning-Assisted Discovery of Mechanosynthesized Lead-Free
Metal Halide Perovskites for the Oxidative Photocatalytic Cleavage of
Alkenes},
author = {Yonghao Xiao and Khokan Choudhuri and Adisak Thanetchaiyakup and Wei Xin Chan and Xinwen Hu and Mansour Sadek and Ying Hern Tam and Ryan Guanying Loh and Sharifah Nadhirah Binte Shaik Mohammed and Kendric Jian Ying Lim and Ju Zheng Ten and Felipe Garcia and Vijila Chellappan and Tej S Choksi and Yee-Fun Lim and Han Sen Soo},
doi = {10.1002/advs.202309714},
times_cited = {11},
year = {2024},
date = {2024-08-01},
journal = {ADVANCED SCIENCE},
volume = {11},
number = {29},
publisher = {WILEY},
address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA},
abstract = {Lead-free metal halide perovskites can potentially be air- and
water-stable photocatalysts for organic synthesis, but there are limited
studies on them for this application. Separately, machine learning (ML),
a critical subfield of artificial intelligence, has played a pivotal
role in identifying correlations and formulating predictions based on
extensive datasets. Herein, an iterative workflow by incorporating
high-throughput experimental data with ML to discover new lead-free
metal halide perovskite photocatalysts for the aerobic oxidation of
styrene is described. Through six rounds of ML optimization guided by
SHapley Additive exPlanations (SHAP) analysis, BA2CsAg0.95Na0.05BiBr7 as
a photocatalyst that afforded an 80% yield of benzoic acid under the
standard conditions is identified, which is a 13-fold improvement
compared to the 6% with when using Cs2AgBiBr6 as the initial
photocatalyst benchmark that is started. BA2CsAg0.95Na0.05BiBr7 can
tolerate various functional groups with 22 styrene derivatives,
highlighting the generality of the photocatalytic properties
demonstrated. Radical scavenging studies and density functional theory
calculations revealed that the formation of the reactive oxygen species
superoxide and singlet oxygen in the presence of BA2CsAg0.95Na0.05BiBr7
are critical for photocatalysis.
Lead-free metal halide perovskite photocatalysts are discovered via a
combination of mechanosyntheses, high-throughput characterization, and
machine learning. After 6 rounds of iterations between experiments and
machine learning, a champion perovskite photocatalyst for styrene
oxidation to benzoic acid in 80% yield is achieved, representing a
13-fold improvement from the Cs2AgBiBr6 benchmark initially started
with. image},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lead-free metal halide perovskites can potentially be air- and
water-stable photocatalysts for organic synthesis, but there are limited
studies on them for this application. Separately, machine learning (ML),
a critical subfield of artificial intelligence, has played a pivotal
role in identifying correlations and formulating predictions based on
extensive datasets. Herein, an iterative workflow by incorporating
high-throughput experimental data with ML to discover new lead-free
metal halide perovskite photocatalysts for the aerobic oxidation of
styrene is described. Through six rounds of ML optimization guided by
SHapley Additive exPlanations (SHAP) analysis, BA2CsAg0.95Na0.05BiBr7 as
a photocatalyst that afforded an 80% yield of benzoic acid under the
standard conditions is identified, which is a 13-fold improvement
compared to the 6% with when using Cs2AgBiBr6 as the initial
photocatalyst benchmark that is started. BA2CsAg0.95Na0.05BiBr7 can
tolerate various functional groups with 22 styrene derivatives,
highlighting the generality of the photocatalytic properties
demonstrated. Radical scavenging studies and density functional theory
calculations revealed that the formation of the reactive oxygen species
superoxide and singlet oxygen in the presence of BA2CsAg0.95Na0.05BiBr7
are critical for photocatalysis.
Lead-free metal halide perovskite photocatalysts are discovered via a
combination of mechanosyntheses, high-throughput characterization, and
machine learning. After 6 rounds of iterations between experiments and
machine learning, a champion perovskite photocatalyst for styrene
oxidation to benzoic acid in 80% yield is achieved, representing a
13-fold improvement from the Cs2AgBiBr6 benchmark initially started
with. image - FNClarivate Analytics Web of Science
- VR1.0
- PTJ
- AFYonghao Xiao
Khokan Choudhuri
Adisak Thanetchaiyakup
Wei Xin Chan
Xinwen Hu
Mansour Sadek
Ying Hern Tam
Ryan Guanying Loh
Sharifah Nadhirah Binte Shaik Mohammed
Kendric Jian Ying Lim
Ju Zheng Ten
Felipe Garcia
Vijila Chellappan
Tej S Choksi
Yee-Fun Lim
Han Sen Soo
- TIMachine-Learning-Assisted Discovery of Mechanosynthesized Lead-Free
Metal Halide Perovskites for the Oxidative Photocatalytic Cleavage of
Alkenes - SOADVANCED SCIENCE
- DTArticle
- ABLead-free metal halide perovskites can potentially be air- and
water-stable photocatalysts for organic synthesis, but there are limited
studies on them for this application. Separately, machine learning (ML),
a critical subfield of artificial intelligence, has played a pivotal
role in identifying correlations and formulating predictions based on
extensive datasets. Herein, an iterative workflow by incorporating
high-throughput experimental data with ML to discover new lead-free
metal halide perovskite photocatalysts for the aerobic oxidation of
styrene is described. Through six rounds of ML optimization guided by
SHapley Additive exPlanations (SHAP) analysis, BA2CsAg0.95Na0.05BiBr7 as
a photocatalyst that afforded an 80% yield of benzoic acid under the
standard conditions is identified, which is a 13-fold improvement
compared to the 6% with when using Cs2AgBiBr6 as the initial
photocatalyst benchmark that is started. BA2CsAg0.95Na0.05BiBr7 can
tolerate various functional groups with 22 styrene derivatives,
highlighting the generality of the photocatalytic properties
demonstrated. Radical scavenging studies and density functional theory
calculations revealed that the formation of the reactive oxygen species
superoxide and singlet oxygen in the presence of BA2CsAg0.95Na0.05BiBr7
are critical for photocatalysis.
Lead-free metal halide perovskite photocatalysts are discovered via a
combination of mechanosyntheses, high-throughput characterization, and
machine learning. After 6 rounds of iterations between experiments and
machine learning, a champion perovskite photocatalyst for styrene
oxidation to benzoic acid in 80% yield is achieved, representing a
13-fold improvement from the Cs2AgBiBr6 benchmark initially started
with. image - Z911
- PUWILEY
- PA111 RIVER ST, HOBOKEN 07030-5774, NJ USA
- VL11
- DI10.1002/advs.202309714
- UTWOS:001233250900001
- ER
- EF
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