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Mechanistic Insights into CO2 Activation on Pristine, Vacancy-containing and Doped Goldene: A Single-Atom Layer of Gold

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03087G, Paper
Kamal Kumar, Nora Henriette De Leeuw, Jost Adam, Abhishek Kumar Mishra
Goldene, a one-atom-thick gold sheet, is an emerging graphene-like flat 2-dimensional material. In this study, the geometrical and electronic properties, as well as CO2 adsorption characteristics, of the pristine,...
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Lattice thermal conductivity reduction in Ca3AlSb3 and Ca5Al2Sb6 by manipulating the covalent tetrahedral chain

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03574G, Paper
Chi Zhang, Wenya Zhai, Jingyu Li, Jianbo Zhu, Zengfu Ou, Lanwei Li, Peng-Fei Liu, Xiaobing Liu, Yuli Yan, Yongsheng Zhang
Exploring the origins of low thermal conductivity in Ca–Al–Sb compounds reveals structural interactions that enhance phonon scattering. Strategies involve substituting heavier atoms to disrupt covalent chains, thereby reducing thermal conductivity.
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Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP02875A, Paper
Nicholas Adu-Effah, Nabanita Saikia
Non-canonical nucleobase pairs differ from canonical Watson-Crick (WC) pairs in their hydrogen bonding patterns. This study uses density functional theory with empirical dispersion correction to examine the stability and electronic...
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Improved perovskite crystallization by antisolvent engineering in tin-perovskite photovoltaics

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02655A, Paper
Xin Zhang, Yu Liu, Xinyao Chen, Chunqian Zhang, Jigang Wang, Jin Cheng, Junming Li
By adding an appropriate proportion of DMS to the anti-solvent, the DMSO remaining in the tin-based perovskite films can be effectively extracted, resulting in films with better crystallography, and the devices have lower trap densities.
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Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03303E, Paper
Eline Desmedt, Michiel Jacobs, Mercedes Alonso, Freija De Vleeschouwer
The NLO response of hexaphyrins is traced back to its driving forces using kernel ridge regression and explainable machine learning. Orbital and charge-transfer based features play a key role, as opposed to aromaticity and geometrical descriptors.
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Band alignment in CdS-α-Te van der Waals heterostructures for photocatalytic applications: Influence of biaxial strain and electric field

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03368J, Paper
Tejaswini G, Anjana E Sudheer , Muthu Vallinayagam, Matthias Posselt, Matthias Zschornak, Maniprakash S, D. Murali
We present a comprehensive theoretical analysis of the structural and electronic properties of a van der Waals heterostructure composed of CdS and α-Te single layers (SLs). The investigation includes an...
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Uniaxial Tensile Strain Impact on 1T-NbS2 Monolayers as Cathode Material for Lithium-Sulfur Batteries

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03156C, Paper
Shanling Ren, Xiaocong Tan, Xin Huang, zhihong yang, Yunhui Wang
In this work, we report our study on asymmetrical Janus TiSSe monolayers as cathode materials for lithium-sulfur batteries by first-principles calculations, encompassing adsorption, catalytic, and conductive properties. The results indicate...
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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



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Disney’s new cruise set to sail in Singapore has Marvel and Pixar worlds onboard

Disney Cruise Line’s first ship in Southeast Asia, Disney Adventure, will sail in Singapore from December 2025. Bookings for the same will be open from December 10, 2024



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Hyrox races launch in India with first event scheduled for 2025 in Mumbai

Hyrox, the world series of indoor hybrid fitness racing, launched in India on October 17 this year. The first race is scheduled for May 3, 2025, in Mumbai




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Say ‘I do’ at these off-beat wedding venues like vineyards, trains, and museums

From heritage mansions to sunny beaches, we find examples of unique locations where you can tie the knot



  • Life & Style

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Chennai | Memories and mothers are the centre of this exhibition-performance by Nimi Ravindran

Nimi Ravindran decides to open her Pandora’s box to mediate on memories and mothers at this exhibition-performance 




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Chennai | Catch Aladdin live as Union Christian School brings the magic to Museum Theatre

Get ready to be swept away on a magical journey as the timeless tale of Aladdin comes to life on stage




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Handmade and hand-painted diyas for Deepavali

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



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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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Sula Vineyards celebrates 25 years with new Merlot and a focus on sustainability

As Nashik’s Sula Vineyards celebrates 25 years with the launch of a merlot, the winery is eager to explore the evolving Indian wine market



  • Life & Style

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Chennai’s House of Thinai launches travelling exhibition linking Madras checks and generative art technology

Alongside championing jamakalam and Lambadi embroidery on furniture, House of Thinai’s latest initiative links Madras checks and generative art technology



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Indian contemporary art on show at Lalit Kala Akademi in Chennai

From bright expressionism to figurative sculptures, diverse work of five Indian contemporary artists populate Lalit Kala Akademi




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The Lab in Goa spotlights cocktails with stories and local culture

Tucked into a new boutique hotel, Amaraanth, The Lab is Goa’s latest cocktail address. Try red amaraanth, a local curry and sarsaparilla in cocktails with meaningful backstories that spotlight the local culture




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How Studio Saar’s The Third Space in Udaipur spotlights the power of community 

Drawing from Udaipur’s traditional havelis, The Third Space in Udaipur aims at being a space for locals to engage in a range of workshops and activities



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Cyrus Broacha decodes Deepavali at Mumbai’s Malabar Hill

Everyone and their mother puts up a Deepavali special during this festive season. Our columnist, however, is determined to stand out



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World Kindness Day celebration brings community art to Chennai

Chennai celebrates kindness through a 20-feet-wide canvas decorated and painted over three days by more than 1,200 people A celebration of kindness brings Chennai together through community art, shared traditions and meaningful gestures



  • Life & Style

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From balanced meal bowls to DIY kits for parties, these Chennai brands are putting a spin on eating healthy




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Made of Chennai: From poems to collages, readers share their love for Chennai

The entries received for the ‘Dear Chennai, with love’ initiative by The Hindu Made of Chennai, captured the city in all its glory




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Why is Art Mumbai special?

A personalised approach, sold out showcases, and an intersection of fashion and films made the first edition a success, raising hopes for the fair next week




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Calculating maintenance charges

Your property-related legal queries answered by S.C. RAGHURAM, Partner, RANK Associates, a Chennai-based law firm




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Pix: Devoleena Marries Her Gym Trainer

Television actor Devoleena Bhattacharjee got married to her gym trainer boyfriend Shahnawaz Sheikh in a private ceremony in Mumbai.




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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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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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Degradable biomedical elastomers: paving the future of tissue repair and regenerative medicine

Chem. Soc. Rev., 2024, 53,4086-4153
DOI: 10.1039/D3CS00923H, Review Article
Ben Jia, Heyuan Huang, Zhicheng Dong, Xiaoyang Ren, Yanyan Lu, Wenzhi Wang, Shaowen Zhou, Xin Zhao, Baolin Guo
This review critically analyzes degradable biomedical elastomers, focusing on their degradation, synthesis, microstructure, and role in tissue repair. It guides experts in balancing degradation with tissue repair for improved applications.
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Recycling of spent lithium-ion batteries for a sustainable future: recent advancements

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00898C, Review Article
Open Access
Basanta Kumar Biswal, Bei Zhang, Phuong Thi Minh Tran, Jingjing Zhang, Rajasekhar Balasubramanian
A critical review of the recent developments in the recycling of spent Li-ion batteries using five major technologies (direct recycling, pyrometallurgy, hydrometallurgy, bioleaching and electrometallurgy) and evaluation of their sustainability.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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On the fundamentals of quantum rate theory and the long-range electron transport in respiratory chains

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00662J, Tutorial Review
Paulo Roberto Bueno
The quantum rate concept v = E/h = c*/L implies relativistic electrodynamics, permitting the transport of electrons in long-range paths of length L and explaining the respiration mechanism if a suitable Boltzmannian statistical setting of E is applied.
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Daily Quiz | On history of the World Championships 

With the 75th edition of Formula 1 World Championship going to commence from February 29 in Bahrain, here’s a quiz on the history of the World Championships held so far




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Kush Maini grabs pole position in F2 Saudi Arabian GP

Kush Maini currently stands at 5th position in the Formula 2 Drivers’ Championship with 27 points; Zane Maloney, winner of the first round, leads the table with 47 points




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Australian GP qualifying | Verstappen takes pole position; Carlos Sainz also in front row

Verstappen has won both races to start the season in Bahrain and Saudi Arabia




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Carlos Sainz — the smooth operator with a hard edge

The 29-year-old returned from emergency appendix surgery to win the Australian GP, remaining the only driver outside Red Bull to triumph since 2022. Out of contract at the end of the season, the Spaniard’s analytical approach and aggressive driving style are set to attract top suitors




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Australia to hold 2025 F1 season opener instead of Bahrain due to Ramadan

The 24-race season will commence on March 16 in Melbourne and end on Dec. 7 in Abu Dhabi as Formula One celebrates the 75th anniversary of its world championship.




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Uncertainty surrounds MotoGP Bharat




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Kush Maini buoyant after maiden Formula One test for Alpine




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Max Verstappen wins 3rd straight Canadian Grand Prix for 60th Formula 1 victory

Verstappen finished more than three seconds ahead of McLaren's Lando Norris in the 70-lap race




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Sainz 'the cork in the bottle' in F1 driver market jigsaw




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Verstappen aims for another F1 win in Barcelona as Sainz hopes to showcase his talents at home race

Verstappen has won six of the nine races so far this season and recorded his 60th career win in Montreal two weeks ago.




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McLaren’s quest to reclaim its glory days is well on track

After a dismal decade of underperformance, Formula One’s second-most-successful team has begun to turn things around. A runner-up finish this season, which is well within reach, will mark a definite inflection point in its protracted bid to rejoin the grid’s elite




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Bagnaia capitalises on Martin crash in Germany to take championship lead




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Ferrari driver Carlos Sainz agrees on two-year deal to join Williams Formula 1 team

Ferrari driver Carlos Sainz has agreed on a two-year deal to join Formula One rival Williams




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Bagnaia keeps Martin at bay to win Austrian Grand Prix

Bagnaia's victory moved him up to 275 points, five more than Martin, with Bastianini maintaining his hold on third place on 214.




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Chennai gears up for India’s first-ever night street race

The Government of Tamil Nadu, through the Sports Development Authority of Tamil Nadu (SDAT), will conduct the second round of the Indian Racing Festival on August 31 and September 1 at the 3.5-km Chennai Formula Racing Circuit




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Indian racing festival 2024 hits Chennai with Formula 4 and India’s first night race

Experience the thrill of high-octane racing as the Indian Racing Festival 2024 revs up Chennai 




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All you need to know about Chennai’s night street race

The 3.5-km Chennai Formula Racing Circuit, with 19 corners, goes around the Island Grounds with the start-finish straight on the beach road




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Formula 4 race: organisers expect event to boost Chennai’s economy

A report on the economic impact of the race on the city will be submitted after a month, says Abhinandan B., co-founder, Racing Promotions Private Limited; the aim is to put Chennai on a global map, and boost its profileJ. Meghanatha Reddy, Member Secretary, SDAT