01749nas a2200289 4500008004100000022001400041245012700055210006900182260007100251300001400322490000600336520071700342653002101059653002001080653003101100653002101131653001701152100001801169700001601187700002001203700002101223700001701244700002201261700001901283700002501302856013201327 2009 eng d a1944-824400aEnhanced conversion efficiency in dye-sensitized solar cells based on hydrothermally synthesized TiO2-MWCNT nanocomposites0 aEnhanced conversion efficiency in dyesensitized solar cells base a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcSEP a2030-20350 v13 a

A 50 % enhancement in the conversion efficiency (4.9-7.37 %) is realized in dye-sensitized solar cells Using hydrothermally synthesized TiO2-multiwalled carbon nanotube (MWCNT) nanocomposites as compared to hydrothermally synthesized TiO2 without MWCNT and Degussa P25. Several characterizations have been employed to reveal the nature of the modification imparted to the MWCNTs under hydrothermal processing conditions and the resulting TiO2-MWCNT conjugation through -COOH groups. Efficient charge transfer In the nanocomposite and efficient electron transport by MWCNT (significantly higher Incident-photon-to-current conversion efficiency) are suggested to be the possible reasons for the enhancement.

10aCarbon nanotubes10acharge transfer10aDye-sensitized solar cells10aHybrid composite10ahydrothermal1 aMuduli, Subas1 aLee, Wonjoo1 aDhas, Vivek, V.1 aMujawar, Sarfraj1 aDubey, Megha1 aVijayamohanan, K.1 aHan, Sung-Hwan1 aOgale, Satishchandra uhttps://library.ncl.res.in/content/enhanced-conversion-efficiency-dye-sensitized-solar-cells-based-hydrothermally-synthesized-002275nas a2200253 4500008004100000022001400041245013000055210006900185260006900254300001400323490000800337520136500345653002001710653002001730653000801750653002401758653002301782653001601805653000801821100002201829700002201851700001701873856013101890 2009 eng d a0379-677900aInfluence of dopant ions on properties of conducting polypyrrole and its electrocatalytic activity towards methanol oxidation0 aInfluence of dopant ions on properties of conducting polypyrrole aPO BOX 564, 1001 LAUSANNE, SWITZERLANDbELSEVIER SCIENCE SAcAUG a1682-16880 v1593 a

The polypyrrole (PPy) films were deposited on vacuum metallized substrates by electro-oxidation of pyrrole monomer. These electrodes were then modified with a range of metal halides having different electronegativities. The modified polypyrrole electrodes were employed to investigate electrocatalytic activity towards methanol electrochemical oxidation by means of cyclic voltammetry in 0.1 M HClO(4) as supporting electrolyte. It was found that the electronegativity of the dopant ion incorporated in the PPy film governs the electrocatalytic activity towards methanol oxidation. Among different dopant anions used in the present work, the PPy doped with zirconium chloride gave the highest anodic current of 10 mA cm(-2) at the oxidation potential of methanol. Electrical property and the charge created due to doping in the polymers were measured using X-ray photoelectron spectroscopy (XPS) and Electron spin resonance spectroscopy (ESR). Electrocatalytic activity of the modified electrodes was correlated with various factors obtained from different polymer characterization experiments. The results were explained on the basis of the charge-transfer efficiency at the electrode I electrolyte interface, which was associated with the acceptor state created by the dopant in the semi-conducting polymer. (C) 2009 Elsevier B.V. All rights reserved.

10acharge transfer10aelectrocatalyst10aESR10aMetal halide dopant10aMethanol oxidation10apolypyrrole10aXPS1 aAdhikari, Arindam1 aRadhakrishnan, S.1 aPatil, Rahul uhttps://library.ncl.res.in/content/influence-dopant-ions-properties-conducting-polypyrrole-and-its-electrocatalytic-activity-001863nas a2200241 4500008004100000022001400041245012200055210006900177260007600246300001200322490000800334520098100342653002001323653002301343653001101366653002101377653001701398653001601415653001401431100002201445700002201467856013201489 2011 eng d a0021-899500aDopant induced effect on electrocatalytic reduction of nitrobenzene using conducting polypyrrole thin film electrodes0 aDopant induced effect on electrocatalytic reduction of nitrobenz aCOMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USAbWILEY-BLACKWELLcAPR a719-7240 v1203 a

Conducting polypyrrole electrodes were prepared by electrochemical polymerization of pyrrole on vacuum-metallized glass substrates. These electrodes were modified by doping with a range of metal halides as dopant ions having different electronegativity. Electrochemical reduction of nitrobenzene using these electrodes was studied by means of cyclic voltammetry technique in acetonitrile medium containing aqueous HClO(4) (0.1M) as supporting electrolyte. It was found that the electronegativity of the dopant ion played a very important role in the electrocatalytic activity. Polypyrrole doped with nickel chloride gave the highest anodic current at the reduction potential of nitrobenzene. The results were explained on the basis of charge transfer efficiency at the electrode-electrolyte interface, which was associated with the acceptor state created by the dopant in the semi-conducting polymer. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 120: 719-724, 2011

10acharge transfer10aconducting polymer10aDoping10aelectrocatalysis10anitrobenzene10apolypyrrole10areduction1 aAdhikari, Arindam1 aRadhakrishnan, S. uhttps://library.ncl.res.in/content/dopant-induced-effect-electrocatalytic-reduction-nitrobenzene-using-conducting-polypyrrole-001926nas a2200265 4500008004100000022001400041245012800055210006900183260007700252300001600329490000700345520092500352653002001277653003201297653002101329653002401350653001901374100001901393700003101412700002201443700002201465700002401487700002001511856012901531 2014 eng d a0947-653900aCovalent organic framework-cadmium sulfide hybrid as a prototype photocatalyst for visible-light-driven hydrogen production0 aCovalent organic frameworkcadmium sulfide hybrid as a prototype  aBOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANYbWILEY-V C H VERLAG GMBHcNOV a15961-159650 v203 a

CdS nanoparticles were deposited on a highly stable, two-dimensional (2D) covalent organic framework (COF) matrix and the hybrid was tested for photocatalytic hydrogen production. The efficiency of CdS-COF hybrid was investigated by varying the COF content. On the introduction of just 1 wt% of COF, a dramatic tenfold increase in the overall photocatalytic activity of the hybrid was observed. Among the various hybrids synthesized, that with 10 wt% COF, named CdS-COF (90: 10), was found to exhibit a steep H2 production amounting to 3678 mmolh(-1) g(-1), which is significantly higher than that of bulk CdS particles (124 mmolh(-1)g(-1)). The presence of a p-conjugated backbone, high surface area, and occurrence of abundant 2D hetero-interface highlight the usage of COF as an effective support for stabilizing the generated photoelectrons, thereby resulting in an efficient and high photocatalytic activity.

10acharge transfer10acovalent organic frameworks10ahybrid materials10ahydrogen production10aPhotocatalysis1 aThote, Jayshri1 aAiyappa, Harshitha, Barike1 aDeshpande, Aparna1 aDiaz, David, Diaz1 aKurungot, Sreekumar1 aBanerjee, Rahul uhttps://library.ncl.res.in/content/covalent-organic-framework-cadmium-sulfide-hybrid-prototype-photocatalyst-visible-light-002343nas a2200277 4500008004100000245009800041210007000139260000800209300001000217490000800227520145200235653002001687653002101707653002101728653001701749653001701766653001901783653001901802100001601821700001801837700001701855700001501872700001501887700002301902856014001925 2017 eng d00aFacile synthesis of β-functionalized “push-pull” Zn(II) porphyrins for DSSC applications0 aFacile synthesis of βfunctionalized pushpull ZnII porphyrins for cDEC a56-660 v1473 a

Three new β-substituted “push-pull” Zn(II) porphyrin dyes with various electron donors at meso-positions and cyanoacetic acid as acceptor at β-position have been designed and synthesized. These porphyrins have been characterized by UV-Vis, Fluorescence, 1H NMR and 13C NMR spectroscopic techniques and cyclic voltammetric studies. The Soret and Q band of Zn(II) porphyrin dyes were found to be red-shifted (30–35 nm) as compared to ZnTPP. The fluorescence quenching and the decrement in quantum yield and lifetime suggest intramolecular charge transfer from donor to acceptor. Zn porphyrins exhibited anodic shift in their first redox potentials (0.03–0.11 V) as compared to ZnTPP. The HOMO-LUMO energy levels of Zn porphyrin dyes were compared with the conduction band of TiO2 and the electrolyte I−/I3 −. The HOMO levels of all the dyes are sufficiently higher than the energy level of electrolyte I−/I3 − and LUMO levels significantly lower than the conduction band of TiO2 which reflect the feasibility of facile electron-transfer. ZnT(Mes)P(CN-COOH) has been co-sensitized with N719 dye to further improve the PCE efficiency. These dyes displayed power conversion efficiency (PCE) of η = 1.72–3.13% where co-sensitized ZnT(Mes)P(CN-COOH) (N719) dye demonstrated maximum PCE efficiency up to 5.35%, with a Jsc of 11.8 mA cm−2, a Voc of 630 mV and a fill factor (FF) of 72% due to better light harvesting capacity.

10acharge transfer10aConduction Bands10aCyanoacetic Acid10aElectrolytes10aFloorescence10aRedox Reaction10azinc compounds1 aPrakash, K.1 aManchanda, S.1 aSudhakar, V.1 aSharma, N.1 aSankar, M.1 aKrishnamoorthy, K. uhttps://library.ncl.res.in/content/facile-synthesis-%CE%B2-functionalized-%E2%80%9Cpush-pull%E2%80%9D-znii-porphyrins-dssc-applications01922nas a2200241 4500008004100000245014000041210006900181260000800250300001400258490000700272520108800279653002001367653001901387653001101406653001701417653002101434653002101455100002001476700001901496700001801515700002101533856012601554 2017 eng d00aG - C3N4 (2D)/CdS (1D)/rGO (2D) dual-interface nano-composite for excellent and stable visible light photocatalytic hydrogen generation0 aG C3N4 2DCdS 1DrGO 2D dualinterface nanocomposite for excellent  cMAR a5971-59840 v423 a

A 2D/1D/2D dual-interface nano-composite configuration in the form of CdS nanorods sandwiched between g-C3N4 and rGO sheets with intimate interfacial contact is synthesized by a facile wet-chemical method and is shown to exhibit excellent photocatalytic H2 generation under visible-light irradiation. In particular, the optimal g-C3N4/CdS/rGO dual-interface nano-composite shows H2 production rate of ∼4800 μmol h-1 g-1, which is almost 44, 11 and 2.5 times higher than that shown by pure g-C3N4 nanosheets, and the g-C3N4/rGO and g-C3N4/CdS single interface heterostructures, respectively. It is shown that the synergic effects involving the band structure match and close interfacial contact, which can accelerate the separation and transfer of photoinduced charge carriers, and the enhanced visible-light absorption together contribute to the impressive photocatalytic performance and photostability of the g-C3N4/CdS/rGO ternary nano-composite system. Specific advantages of a dual-interface triple-composite system over a single interface case(s) are also brought out.

10acharge transfer10aDual Interface10aG - CN10aH Generation10aHetero Structure10aNano - Composite1 aTonda, Surendar1 aKumar, Santosh1 aGawli, Yogesh1 aBhardwaj, Monika uhttps://library.ncl.res.in/content/g-c3n4-2dcds-1drgo-2d-dual-interface-nano-composite-excellent-and-stable-visible-light02085nas a2200241 4500008004100000022001400041245011900055210006900174260000800243300001200251490000600263520126900269653002001538653001201558653001801570653001201588653002001600100002601620700001701646700002001663700003001683856013001713 2018 eng d a2194-428800aMarginally hydrogenated triphasic titania nanotubes for effective visible-light photocatalytic hydrogen generation0 aMarginally hydrogenated triphasic titania nanotubes for effectiv cFEB a280-2880 v63 a

We report the first demonstration of hydrogen-annealed triphase TiO nanotubes (anatase-rutile-brookite) (T-ARB) as a visible-light-active photocatalyst for water splitting with high quantum efficiency. As-synthesized T-ARB was annealed under hydrogen atmosphere at 250 and 4508 degrees C for 2 h. We found that the tubular structures were retained in the hydrogenated TiO2 samples. It was observed that the concentrations of Ti3+ and the oxygen vacancies and their distribution significantly increased with respect to the hydrogen annealing temperature. Such changes in defects were found to be critical in enhancing the photocatalytic activity of the hydrogen-annealed triphase TiO2 nanotubes. The triphase TiO2 nanotubes hydrogen annealed at 450 degrees C were 16 times more efficient than pristine TiO2. Such an increase in the photocatalytic activity was explained by a triphase band diagram with defect states below the conduction band of each phase, which facilitated visible-light activity and easy transfer of charge carriers from one phase to another. Our study showed that the well-designed multiphase construction with oxygen vacancies enhanced the photocatalytic activity tremendously owing to the presence of a higher number of phase junctions.

10acharge transfer10aDefects10aHydrogenation10atitania10awater splitting1 aPreethi, Laguduva, K.1 aMathews, Tom1 aWalczak, Lukasz1 aGopinath, Chinnakonda, S. uhttps://library.ncl.res.in/content/marginally-hydrogenated-triphasic-titania-nanotubes-effective-visible-light-photocatalytic01818nas a2200277 4500008004100000022001400041245012800055210006900183260000900252300001400261490000700275520088200282653002001164653002101184653003201205653001801237653002601255100001901281700002001300700001601320700002101336700002301357700001801380700002501398856011701423 2021 eng d a1864-563100aStructure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production0 aStructuretailored nonnoble metalbased ternary chalcogenide nanoc cAUG  a3074-30830 v143 aA facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.10acharge transfer10aelectrocatalysis10ahydrogen evolution reaction10aNanomaterials10aternary chalcogenides1 aSarkar, Shreya1 aRawat, Abhishek1 aDas, Tisita1 aGaboardi, Mattia1 aChakraborty, Sudip1 aVinod, C., P.1 aPeter, Sebastian, C. uhttps://library.ncl.res.in/content/structure-tailored-non-noble-metal-based-ternary-chalcogenide-nanocrystals-pt02388nas a2200301 4500008004100000022001400041245012100055210006900176260000800245300001600253490000700269520134900276653002001625653002001645653002901665653003601694653002701730653003201757100001901789700002201808700002401830700002601854700001901880700002601899700001901925700001601944856012601960 2023 eng d a1944-824400aChemical bridge-mediated heterojunction electron transport layers enable efficient and stable perovskite solar cells0 aChemical bridgemediated heterojunction electron transport layers cJUN a29597-296080 v153 a

Perovskite solar cells (PSCs) emerged as potential photovoltaicenergy-generating devices developing in recent years because of theirexcellent photovoltaic properties and ease of processing. However,PSCs are still reporting efficiencies much lower than their theoreticallimits owing to various losses caused by the charge transport layerand the perovskite. In this regard, herein, an interface engineeringstrategy using functional molecules and chemical bridges was appliedto reduce the loss of the heterojunction electron transport layer.As a functional interface layer, ethylenediaminetetraacetic acid (EDTA)was introduced between PCBM and the ZnO layer, and as a result, EDTAsimultaneously formed chemical bonds with PCBM and ZnO to serve asa chemical bridge connecting the two. DFT and chemical analyses revealedthat EDTA can act as a chemical bridge between PCBM and ZnO, passivatedefect sites, and improve charge transfer. Optoelectrical analysisproved that EDTA chemical bridge-mediated charge transfer (CBM-CT)provides more efficient interfacial charge transport by reducing trap-assistedrecombination losses at ETL interfaces, thereby improving device performance.The PSC with EDTA chemical bridge-mediated heterojunction ETL exhibiteda high PCE of 21.21%, almost no hysteresis, and excellent stabilityto both air and light.

10acharge transfer10achemical bridge10aelectron transport layer10aethylenediaminetetraacetic acid10aPerovskite solar cells10atrap-assisted recombination1 aPatil, Pramila1 aMaibam, Ashakiran1 aSangale, Sushil, S.1 aMann, Dilpreet, Singh1 aLee, Hyun-Jung1 aKrishnamurty, Sailaja1 aKwon, Sung-Nam1 aNa, Seok-In uhttps://library.ncl.res.in/content/chemical-bridge-mediated-heterojunction-electron-transport-layers-enable-efficient-and02627nas a2200277 4500008004100000022001400041245011400055210006900169260000800238300001400246490000700260520169300267653003001960653002401990653002002014653002002034653001902054653001702073100003202090700001902122700001702141700001702158700002802175700002302203856012302226 2024 eng d a2155-543500aPhotocatalytic regeneration of reactive cofactors with inP quantum dots for the continuous chemical synthesis0 aPhotocatalytic regeneration of reactive cofactors with inP quant cAPR a6740-67480 v143 a

The shuttling of redox-active nicotinamide cofactors between the light and dark cycles is the key to the continuous production of biomass in photosynthesis. The replication of such processes in artificial photosynthetic systems demands fast photoregeneration as well as simultaneous integration of these nicotinamide cofactors into the dark cycle. Here, we report the design of an artificial photosynthetic system for the continuous production of butanol via the constant photoregeneration and consumption of nicotinamide cofactors, powered by an indium phosphide quantum dot (InP QD) photocatalyst and alcohol dehydrogenase (ADH) enzyme, respectively. A strong electrostatic attraction between the oppositely charged InP QDs and electron mediators significantly enhanced the charge extraction and utilization processes, enabling a fast (similar to 30 min, with a turn over frequency of similar to 1333 h(-1)), quantitative (>99%), and selective photoregeneration of enzymatically active nicotinamide cofactors in the light cycle. These photoregenerated nicotinamide cofactors were further coupled in the dark cycle to trigger the ADH oxidoreductase enzyme for the production of butanol, via sequential as well as simultaneous light-dark cycles. The amount of butanol produced under simultaneous light-dark cycles was higher than the stoichiometric limit, proving the constant regeneration and consumption of nicotinamide cofactors in light and dark cycles, respectively. Thus, a proper design and integration of the InP QD-based photocatalytic cycle with the enzymatic cycle led to the effective electron shuttling between light and dark cycles, as seen in photosynthesis.

10aartificial photosynthesis10abiologicalcofactors10acharge transfer10aindiumphosphide10aPhotocatalysis10aquantum dots1 aChakraborty, Indra, Narayan1 aJain, Vanshika1 aRoy, Pradyut1 aKumar, Pawan1 aVinod, Chathakudath, P.1 aPillai, Pramod, P. uhttps://library.ncl.res.in/content/photocatalytic-regeneration-reactive-cofactors-inp-quantum-dots-continuous-chemical01688nas a2200229 4500008004100000022001400041245011100055210006900166260000800235490000700243520090600250653002701156653001601183653002001199653002001219653001201239100001601251700002701267700001701294700001801311856012901329 2025 eng d a1439-423500aCharge transfer effect on relaxation mechanism in hydrated pyrrole-water systems following N-2s ionization0 aCharge transfer effect on relaxation mechanism in hydrated pyrro cAPR0 v263 a

This study investigates the relaxation mechanisms of pyrrole and pyrrole-water clusters (C4H5N-(H2O)n, where n=0-3 \${n = 0 - 3}\$ ) following N-2s ionization of pyrrole. Using various theoretical methods, we focus on the influence of water molecules and charge transfer on these non-radiative relaxation pathways. Our simulations included pyrrole solvated in 494 explicit water molecules equilibrated at 300 K and also employed a polarizable continuum model (PCM) to make the system more realistic and gain additional insights. In hydrated environments, the hydrogen bonding network between pyrrole and surrounding water molecules facilitates enhanced non-radiative relaxation pathways following inner valence ionization. Since these are hydrogen bonding systems, we have explored the possibility of proton transfer, which could occur in conjunction with other electronic decay processes.

10aab initio-calculations10aauger decay10acharge transfer10aproton transfer10apyrrole1 aKumar, Ravi1 aBhattacharjee, Kankana1 aGhosh, Aryya1 aVaval, Nayana uhttps://library.ncl.res.in/content/charge-transfer-effect-relaxation-mechanism-hydrated-pyrrole-water-systems-following-n-2s02760nas a2200241 4500008004100000022001400041245016600055210006900221260000900290300001600299490000700315520185600322653005402178653002002232653003502252653000802287653001902295653000802314100001602322700002502338700002702363856012802390 2025 eng d a2155-543500aHarnessing AEM electrolyzer-level performance through strategically designing the electronic structure of electrocatalysts, enabling dynamic functional switching0 aHarnessing AEM electrolyzerlevel performance through strategical cDEC  a19968-199830 v153 a

The anion exchange membrane water electrolyzer (AEMWE) is a promising technology for cost-effective hydrogen production. To promote its development and adoption, targeted efforts are focused on finding non-platinum group metal (non-PGM) electrocatalysts that efficiently facilitate the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Nickel sulfides (NiS) are effective OER catalysts; however, they suffer due to leaching-related instability at electrolyzer stack operational conditions. We introduce a rational non-PGM design that enhances stability during the OER while excelling at the HER, showcasing molecular-level insights for a scalable AEMWE zero-gap stack device. NiS coating is applied to the Al-metal-organic framework supported by 3D porous nickel foam (NSMA), leading to charge localization at the interface, which helps in OER by requiring only 322 millivolts at 100 mA cm-2. The main innovation in the NSMA design is a controlled electroreduction process that converts the Millerite phase into Ni3S2, a catalyst (rNSMA). This transformation leads to charge delocalization at the surface and a low overpotential of -80 mV at -100 mA cm-2 for the HER. In a full cell, this catalyst duo requires an overpotential of 1.49 V, outperforming the commercial Pt/Ru catalyst pair at 1.58 V. In a scaled-up 12.96 cm2 AEM electrolyzer single-cell stack, current density rose from 398 to 1062 mA/cm2, maintained for over 100 h at high temperatures, achieving 99% Faradaic efficiency and 100% hydrogen purity. The AEM electrolyzer cell shows a good energy efficiency of 45.50 kWh/kg and a cell efficiency of 86.59%. Detailed studies, including DFT analyses, revealed that electronic structure modification enhances charge delocalization, driving its impressive performance on an industrially significant scale.

10aanion exchangemembrane water electrolyzer (AEMWE)10acharge transfer10adensity functional theory(DFT)10aHER10anickel sulfide10aOER1 aKumar, Sonu1 aVerma, Tushar, Singh1 aSelvaraj, Kaliaperumal uhttps://library.ncl.res.in/content/harnessing-aem-electrolyzer-level-performance-through-strategically-designing-electronic