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Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle C Machado, Mateus M Quintano, Carlos Vital dos Santos Junior, Albano Carneiro Neto, Elfi Kraka, Ricardo Luiz Longo, Renaldo Tenorio Moura Jr.
{This study provides new theoretical insights into the vibrational spectra of Ln(III) complexes, along the lanthanide series by utilizing the LModeAGen protocol and integrating cutting-edge topological ideas. It provides a...
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han

Multi-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03380A, Paper
Zhijie Dai, Zhengbing Xiao, Dahong Zhao, Sunhang Xiao, Yuanchun Huang, Qingsong Dai
Multi-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment.
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han

Investigating Ni nanoparticles on CeO2 for methane dissociation: a comparative study of theoretical calculations and experimental insights

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01324G, Paper
Takaya Fujisaki, Yuta Tsuji, Phuc Hoan Tu, Tin Chanh Duc Doan, David S. Rivera Rocabado, Aleksandar Tsekov Staykov, Keiji Yashiro, Yusuke Shiratori
CeO2 supported with Ni nanoparticles has emerged as a promising catalyst for enhancing the efficiency of dry reforming of methane (DRM) reaction.
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han

Magnetic field enhanced discharge and water activation of atmospheric pressure plasma jet: effect of assistance region and underlying physico-chemical mechanism

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03938F, Paper
Xiongfeng Zhou, Bin Chen, Hua Liao, Kun Liu
Magnetic field-assistance holds the promise of becoming a new or complementary approach to enhance the efficiency of atmospheric pressure plasma jet (APPJ), but there is currently a lack of research...
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han

Extraction mechanism of phenolic compounds by deep eutectic solvents: DFT and molecular dynamics studies

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03453H, Paper
Lan Yi, Jinwen Wang, Jixing Liu, Hao Luo, Xiaoqin Wu, Wen-Ying Li
The mechanism of a deep eutectic solvent consisting of choline chloride and glycerol (ChCl/GLY) for extracting phenolic compounds from coal tar was theoretically studied using density functional theory and molecular...
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han

How climate change has helped vineyards in Britain thrive

Discover the rise of English wines, from picturesque vineyards to award-winning bottles, amidst a changing climate and growing acclaim



  • Life & Style

han

Handmade and hand-painted diyas for Deepavali

Meet these women whose handcrafted and hand-painted diyas will light up homes this Deepavali



  • Life & Style

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Planning to order bakshanams for Deepavali? Chennai’s caterers have you covered

This Deepavali, Chennai’s caterers are turning wedding halls into massive festival kitchens, complete with free snacks and courier collection centres. We drop in for adirasam and details




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Thiruvananthapuram is set for Deepavali with handmade lanterns, and hampers with festive treats

Home cooks and craftspersons in Thiruvananthapuram have a rich spread of goodies and artefacts for Deepavali




han

Rapper Iykki Berry’s new single celebrates Tamil pride and Thanjavur

Rapper and singer-songwriter Iykki Berry’s new single is a nod to Thanjavur, her hometown




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Forest guide at Thattekkad Bird Sanctuary, Sudha Chandran, speaks of a lifetime in bird watching

Winner of the PV Thampy Memorial Endowment Award, Sudha Chandran, on her deep-rooted connection with the forest



  • Life & Style

han

Eeshaan Kashyap for Sarita Handa | In the mood for ghungroo

Musical anklets, traditional blooms and an old textile motif are reimagined in this Eeshaan Kashyap for Sarita Handa collection



  • Homes and gardens

han

‘The Outer Ring Road will be the game changer’

W. S. Habib, secretary, CREDAI Chennai, and managing director, RWD, talks to Vishal Menon about the factors affecting the city’s realty market in the near future





han

They need a shrink more than our votes




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High triboelectrification and charge collection efficiency of direct current triboelectric nanogenerator achieved by tri-synergistic enhancement strategy

Energy Environ. Sci., 2024, Accepted Manuscript
DOI: 10.1039/D4EE03784G, Paper
Shuyan Xu, Jian Wang, Chuncai Shan, Kaixian Li, Huiyuan Wu, Gui Li, Shaoke Fu, Qionghua Zhao, Yi Xi, Chenguo Hu
Direct current triboelectric nanogenerator (DC-TENG) utilized air-breakdown effect to collect triboelectrification charges from dielectric tribo-layers, providing a new type of mechanical energy harvesting mode for TENGs, which has demonstrated its...
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han

Zn-based batteries for sustainable energy storage: strategies and mechanisms

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00295K, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lei Tang, Haojia Peng, Jiarui Kang, Han Chen, Mingyue Zhang, Yan Liu, Dong Ha Kim, Yijiang Liu, Zhiqun Lin
This review systematically summarizes various redox mechanisms in Zn-based batteries and design strategies to improve their electrochemical performance, which provides a reference for future development of high-performance Zn-based batteries.
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han

Theoretical and computational methods for tip- and surface-enhanced Raman scattering

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01070H, Review Article
Sai Duan, Guangjun Tian, Yi Luo
The effective field Hamiltonian can rigorously treat the quantum interactions between all components of localized optical fields and molecules, which predicts the breakdown of diverse selection rules and extends the application of optical techniques.
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han

Construction of olefinic coordination polymer single crystal platforms: precise organic synthesis, in situ exploration of reaction mechanisms and beyond

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01050C, Review Article
Qiaoqiao Zhang, Yong Wang, Pierre Braunstein, Jian-Ping Lang
Olefinic coordination polymers were used as universal single crystal platforms for precise organic synthesis, in situ mechanism exploration and photochemical applications.
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han

Mechanistic studies on single-electron transfer in frustrated Lewis pairs and its application to main-group chemistry

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D4CS00185K, Tutorial Review
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lars J. C. van der Zee, Jelle Hofman, Joost M. van Gaalen, J. Chris Slootweg
Here, we discuss predicting thermal and photoinduced single-electron transfer (SET) in frustrated Lewis pairs (FLPs) and characterizing the resulting radical pair. We then extend these methods' application to main-group chemistry.
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han

Electrochemical coupling in subnanometer pores/channels for rechargeable batteries

Chem. Soc. Rev., 2024, 53,3829-3895
DOI: 10.1039/D3CS01043K, Review Article
Yao-Jie Lei, Lingfei Zhao, Wei-Hong Lai, Zefu Huang, Bing Sun, Pauline Jaumaux, Kening Sun, Yun-Xiao Wang, Guoxiu Wang
This review categorizes subnanometer pores/channels (SNPCs) from structural perspective and demonstrates electrochemical couplings in SNPCs for batteries while proposing corresponding challenges and future research directions.
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han

The mechanism of water oxidation using transition metal-based heterogeneous electrocatalysts

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01031G, Review Article
Shujiao Yang, Xiaohan Liu, Sisi Li, Wenjie Yuan, Luna Yang, Ting Wang, Haoquan Zheng, Rui Cao, Wei Zhang
The oxygen evolution reaction (OER) mechanisms using transition metal-based electrocatalysts are instrumental in providing novel insights into both natural and artificial energy conversion processes.
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han

Max Verstappen says he’s closer to the end of his F1 career than the start

Max Verstappen celebrates 200 F1 races and hints at retirement before No. 400, keeping future options open




han

At the brand new Madras International Karting Arena, drive on the track that Mika Hakkinen, Narain Karthikeyan, and Karun Chandhok raced on

At the brand new Madras International Karting Arena, drive on the track that Mika Hakkinen, Narain Karthikeyan, and Karun Chandhok raced on The 1.2 kilometre track is India’s first karting circuit built to FIA-CIK (Commission Internationale de Karting) specifications



  • Life & Style

han

Paris Olympics: Harmanpreet's late strike hands India 1-1 draw against Argentina

Lucas Martinez gave Argentina the lead in the 22nd minute before Harmanpreet converted India's 10th and last penalty corner to pick up a crucial point from the game.




han

Harmanpreet Singh and Craig Fulton interview: ‘As a team we have seen every situation, handled it together’

India hockey captain Harmanpreet and coach Craig Fulton talk about the dynamics within the set-up, the learnings from a poor World Cup, a rise the rankings and what an Olympic medal would mean to them and to the game that once people thronged to watch




han

Men’s hockey: Sreejesh’s saves were nothing short of miracle, we can win gold at Paris Olympics, says Dhanraj Pillay

As soon as Rajkumar Pal scored the winning goal in the shoot-off, an emotional Dhanraj, glued to the TV at home, jumped in joy.




han

Watch: Remembering Dhyan Chand | National Sports Day

As we celebrate National Sports Day, we honour Major Dhyan Chand’s legacy




han

Underwhelming India wastes chances, goes down to German efficiency




han

Karnataka defeats Chandigarh, makes the last-eight stage




han

School Education Department committee to handle complaints




han

Potential change-makers

How can we help all our children realise their dreams




han

Appeal to hand over historic school

Prince of Arcot offers to renovate Madrasa-e-azam school.




han

Thane govt. officers to adopt schools




han

Change is in the air : carbon, climate, Earth, and us / Debbie Levy ; illustrated by Alex Boersma

Levy, Debbie, author




han

Open science : knowledge for everyone / Monique Polak ; illustrated by Catherine Chan

Polak, Monique, author




han

Wrong side of the court / H.N. Khan

Khan, H. N., author




han

Extreme weather for kids : lessons and activities all about hurricanes, tornadoes, blizzards, and more! / Matthew Cappucci ; illustrated by Stephanie Hathaway

Cappucci, Matthew, author




han

Quand l'éléphant écoute avec ses pieds. English

Grundmann, Emmanuelle, author




han

Company culture and success go hand in hand

Why founders must, at the outset, decide what kind of company they want to build




han

Zephyr Peacock: Lending funds... and a hand

VC firm Zephyr Peacock zeroes in on sectors for its fourth fund deployment




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The synthesis of specifically isotope labelled fluorotryptophan and its use in mammalian cell-based protein expression for 19F-NMR applications

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC04789C, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Giorgia Toscano, Martina Rosati, Letizia Barbieri, Katharina Maier, Lucia Banci, Enrico Luchinat, Robert Konrat, Roman J. Lichtenecker
Combining multistep organic synthesis with mammalian cell based protein overexpression leads to isolated 13C–19F spin systems in tryptophan side chains, which represent ideal sensors to probe protein interaction and dynamics using NMR spectroscopy.
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han

Synthesis of heteroleptic bis-phosphine bis-NHC iron (0) complexes: a strategy to enhance small molecule activation

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05463F, Communication
Open Access
Christian M. Andre, Nathaniel K. Szymczak
We report low-valent iron complexes containing bis-NHC and bis-phosphine donor ligands that coordinate and strongly activate N2 and CO.
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han

Fabrication of gelatin hydrogels using pre-coordinated lanthanide complexes via imine crosslinking

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC03886J, Communication
Chen-Cheng Yu, Yu Yun Hsu, Yu-Chia Su, Yi-Chen Yang, Tzu-Ying Wang, Yi-Cheun Yeh
Precoordinated lanthanide-containing complexes are used to crosslink polyethyleneimine-modified gelatin to form gelatin hydrogel through imine bond formation.
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From one to two: In-site constructing C3N5-Poly (triazine imide) heterojunction for enhanced O2 activation

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC05077K, Communication
Shiling Xu, Ziheng Yang, Laiqing Zhang, Xiaorui Zhang, Zikang Zeng, Wenxuan Wang, Yujun Liang, Lan Yuan, Chuang Han
A novel C3N5-Poly (triazine imide) (PTI) heterojunction was designed and constructed by thermal polymerization process, which featured with intimated S-scheme interface coupling and exhibited a predominant performance for H2O2 production....
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Revealing the structural influence mechanism of intrinsic potassium/calcium elements on bio-waste-derived hard carbon for sodium-ion batteries

Chem. Commun., 2024, 60,13380-13383
DOI: 10.1039/D4CC03546A, Communication
Yinghao Zhang, Chun Wu, Qinghang Chen, Chuangchuang Li, Wenjie Huang, Qianxiong Wen, Xiang-Xi He, Xingqiao Wu, Shu-Lei Chou
The evolution mechanism of hard carbon structures in terms of graphitization and pore structure caused by K/Ca has been clarified.
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Enhancing the performance of ionic conductivity for solid-state electrolytes: an effective strategy of injecting lithium ions within anionic metal–organic frameworks

Chem. Commun., 2024, 60,13416-13419
DOI: 10.1039/D4CC04515G, Communication
Lu Shi, Xin Wang, Zhiliang Liu
An ionotropic MOF (Li+[Cu-BTC]) with lithium ions in the pores of the lattice was synthesized, which displays outstanding lithium ionic conducting properties over a wide temperature range.
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A MOF-derived CuO/TiO2 photocatalyst for methanol production from CO2 reduction in an AI-assisted continuous flow reactor

Chem. Commun., 2024, Advance Article
DOI: 10.1039/D4CC05008H, Communication
Bhavya Jaksani, Ruchi Chauhan, Switi Dattatraya Kshirsagar, Abhilash Rana, Ujjwal Pal, Ajay K. Singh
An AI-assisted continuous flow reactor for CO2 reduction to methanol using a MOF-derived CuO/TiO2 photocatalyst.
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han

Chances of infection: food safety squad continues aggressive checking in eateries

Nearly 70 shops dealing with food-based business inspected; flash inspections conducted considering the crowd turnout for Kerala State School Kalolsavam




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Chef Manu Chandra opens LUPA, an oasis on Bengaluru’s busy MG road

LUPA, the flagship restaurant of chef Manu Chandra, will take you far from the madding crowd