with First-principles study on the lithiation process of amorphous SiO anode for Li-ion batteries with Bayesian optimization By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27561-27566DOI: 10.1039/D4CP02533D, PaperRyoya Shintaku, Tomoyuki Tamura, Shogo Nogami, Masayuki Karasuyama, Takakazu HiroseBayesian optimization allows theoretical investigation of the lithiation process of amorphous SiO anode materials for lithium (Li) ion batteries (LIBs).The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Impact of valley degeneracy on the thermoelectric properties of zig-zag graphene nanoribbons with staggered sublattice potentials and transverse electric fields By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27591-27601DOI: 10.1039/D4CP03178D, PaperDavid M. T. KuoThis study investigates the band inversion of flat bands in zig-zag graphene nanoribbons (ZGNRs) using a tight-binding model.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Performance of functionalized graphene oxide with organic radical scavengers in proton exchange membranes By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, 26,27817-27828DOI: 10.1039/D4CP03151B, PaperYu Hu, Jiaxing Wang, Shuai Wang, Yuan FengA diazonium salt reaction is used to prepare benzoic acid-functionalized graphene oxide as a bi-functional filler for a Nafion membrane, and the corresponding composite membrane has improved chemical durability and proton conductivity.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Molten salt synthesized Tb3+, Pr3+ or Dy3+ single doped CaTa4O11 with persistent luminescence By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03989K, PaperYuhan Fan, Yongze Cao, Meiling Li, Sai Xu, Yichao Wang, Xizhen Zhang, Jinsu Zhang, B. J. ChenA series of Tb3+, Pr3+ and Dy3+ monodoped CaTa4O11(CTO) persistent luminescence (PersL) phosphors have been successfully synthesized by molten salt method with KCl flux. The PersL color is green and...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with DFT rationalization of the mechanism and selectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP01700E, PaperGuowei Yan, Ji Ma, Simeng Qi, Alexander M. Kirillov, Lizi Yang, Ran FangThe mechanism, regioselectivity, and chemoselectivity in a gold-catalyzed oxidative cyclization of diynones with alcohols to give furan-3-carboxylate derivatives were explored by density functional theory (DFT).To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P) By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03755C, PaperYi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan LuWe predict B2CX (X = N, P) are standard phonon-mediated superconductors with Tc = 44.3–46.1 K, higher than most diamond-like superconductors. Coupling between metallic σ electrons and softened E phonons contributes greatly to their superconductivity.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with A Comprehensive Guide for Accurate Conformational Energies of Microsolvated Li+ Clusters with Organic Carbonates By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03487B, PaperArseniy A. Otlyotov, Andrey Moshchenkov, Timofey P. Rozov, Anna A. Tuma, Alexander S. Ryzhako, Yury MinenkovOrganic carbonates and their mixtures are frequently used in electrolyte solutions in lithium-ion batteries. Rationalization and tuning of the related Li+ solvation processes are rooted in the proper identification of...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Theoretical Insights into the Vibrational Spectra and Chemical Bonding of Ln(III) Complexes with a Tripodal N4O3 Ligand Along the Lanthanide Series By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03677H, PaperFrancielle 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...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Multi-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03380A, PaperZhijie Dai, Zhengbing Xiao, Dahong Zhao, Sunhang Xiao, Yuanchun Huang, Qingsong DaiMulti-scale study on the electrochemical behavior and corrosion mechanism of 5083 aluminum alloy with different microstructures in a NaCl environment.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03697B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ahmet Altun, Eduardo Schiavo, Michael Mehring, Stephan Schulz, Giovanni Bistoni, Alexander A. AuerCombined Hartree–Fock plus London Dispersion (HFLD) and fragment-pairwise Local Energy Decomposition (fp-LED) enables computation of lattice energies, their breakdown into pairwise terms, and assessment of relative stability sources in polymorphs.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Deciphering the spectroscopic and thermodynamic aspects of binding of biologically important antioxidants with the alkali induced state of human serum albumin By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03636K, PaperAnjali Maheshwari, Nand KishoreProtein–ligand interactions are crucial for developing and identifying novel therapeutic targets.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with A composite of pineapple leaf-derived porous carbon integrated with ZnCo-MOF for high-performance supercapacitors By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02882A, PaperXiaoxiao Ma, Yunfan Bai, Shuangli Chen, Zhixian He, Pingping Wu, Yabing Qi, Sijing ZhangPineapple leaf-derived biochar (PLB) served as a carrier for ZnCo-MOF in the preparation of ZnCo-MOF@PLB-800. The porous structure of PLB reduced ZnCo-MOF aggregation, enhancing electron transfer and the conductivity of the electrode material.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Hyrox races launch in India with first event scheduled for 2025 in Mumbai By www.thehindu.com Published On :: Fri, 18 Oct 2024 17:35:12 +0530 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 Full Article Fitness
with Check out Amritsar’s experimental Asian diner with sushi and omakase counters — Shiso By www.thehindu.com Published On :: Fri, 25 Oct 2024 15:07:24 +0530 Full Article Dining
with Sula Vineyards celebrates 25 years with new Merlot and a focus on sustainability By www.thehindu.com Published On :: Fri, 25 Oct 2024 15:36:25 +0530 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 Full Article Life & Style
with Thiruvananthapuram is set for Deepavali with handmade lanterns, and hampers with festive treats By www.thehindu.com Published On :: Sat, 26 Oct 2024 12:48:42 +0530 Home cooks and craftspersons in Thiruvananthapuram have a rich spread of goodies and artefacts for Deepavali Full Article Features
with The Lab in Goa spotlights cocktails with stories and local culture By www.thehindu.com Published On :: Fri, 01 Nov 2024 15:04:33 +0530 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 Full Article Features
with Correlating concerted cations with oxygen redox in rechargeable batteries By pubs.rsc.org Published On :: Chem. Soc. Rev., 2024, 53,3561-3578DOI: 10.1039/D3CS00550J, Review ArticleShiqi Wang, Lifan Wang, David Sandoval, Tongchao Liu, Chun Zhan, Khalil AmineThis review underscores the critical importance of oxygen redox and elucidates the precise commonalities of cations in regulating oxygen redox.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Engineered two-dimensional nanomaterials based diagnostics integrated with internet of medical things (IoMT) for COVID-19 By pubs.rsc.org Published On :: Chem. Soc. Rev., 2024, 53,3774-3828DOI: 10.1039/D3CS00719G, Review ArticleMohd. Abubakar Sadique, Shalu Yadav, Raju Khan, Avanish K. SrivastavaEngineered 2D nanomaterials-based smartphone-assisted detection approaches integrated with IoMT, focusing on reliable, sensitive, and rapid diagnostics for COVID-19.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with Recent advances in the chemistry of isolable carbene analogues with group 13–15 elements By pubs.rsc.org Published On :: Chem. Soc. Rev., 2024, 53,3896-3951DOI: 10.1039/D3CS00784G, Review ArticleMian He, Chaopeng Hu, Rui Wei, Xin-Feng Wang, Liu Leo LiuThis review provides an overview of main group carbene analogues, covering recent advancements, synthesis strategies, and the diverse reactivity of elements in groups 13–15 based on their structural characteristics.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
with F1 champion Sebastian Vettel gets back behind the wheel with Porsche to test a Le Mans car By www.thehindu.com Published On :: Sat, 23 Mar 2024 02:08:00 +0530 Four-time Formula 1 champion Sebastian Vettel is getting back behind the wheel Full Article Motorsport
with Carlos Sainz — the smooth operator with a hard edge By www.thehindu.com Published On :: Sat, 30 Mar 2024 00:29:13 +0530 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 Full Article Motorsport
with Hamilton ends win drought with record ninth British victory By www.thehindu.com Published On :: Sun, 07 Jul 2024 21:24:09 +0530 Mercedes driver’s last win before Silverstone was in Saudi Arabia on Dec. 5, 2021, and Sunday was a record-extending 104th of his career Full Article Motorsport
with Indian racing festival 2024 hits Chennai with Formula 4 and India’s first night race By www.thehindu.com Published On :: Thu, 29 Aug 2024 10:40:29 +0530 Experience the thrill of high-octane racing as the Indian Racing Festival 2024 revs up Chennai Full Article Motorsport
with Indian Racing Festival | Chennai dazzles under lights with action-packed races By www.thehindu.com Published On :: Mon, 02 Sep 2024 00:54:34 +0530 The on-track drama was exciting, and barring a minor incident during the first Indian Racing League race, the event passed off without hiccups. Full Article Motorsport
with Paris Olympics hockey: Stern New Zealand test awaits India as it aims to begin campaign with a win By www.thehindu.com Published On :: Fri, 26 Jul 2024 14:56:10 +0530 Harmanpreet’s men, who chose to skip the opening ceremony to concentrate on the match at the Yves-du-Manoir Stadium, will be vying to improve their medal colour in Paris Full Article Olympics
with Sreejesh’s father swells with pride watching his last hurrah ending in Olympic glory By www.thehindu.com Published On :: Fri, 09 Aug 2024 00:08:56 +0530 At that time, it cost around ₹10,000, which was a big sum for an ordinary farmer like me. But I did what I had to and bought him the kit, says P.V. Raveendran, father of goalkeeper and two-time Olympic medallist P.R. Sreejesh Full Article Olympics
with P.R. Sreejesh: Man with lightning reflexes By www.thehindu.com Published On :: Sun, 18 Aug 2024 01:32:00 +0530 The former Indian hockey team goalkeeper, who has hung up his boots after an illustrious career, takes over as the junior men’s team coach on October 1 Full Article Hockey
with With a new coach and captain, Japan hockey hopes to get back to winning ways By www.thehindu.com Published On :: Tue, 10 Sep 2024 17:46:01 +0530 Full Article Hockey
with Karthi’s brace helps Secretariat share honours with Odisha By www.thehindu.com Published On :: Fri, 20 Sep 2024 02:50:00 +0530 In the second match of the day, former champion BPCL edged out Hockey Unit of Tamil Nadu 2-1 Full Article Hockey
with Odisha impresses with win over NCOE; IOC drubs Central Secretariat By www.thehindu.com Published On :: Sun, 22 Sep 2024 21:07:58 +0530 Full Article Hockey
with Railways enters semifinals with a hard-fought win over BPCL By www.thehindu.com Published On :: Wed, 25 Sep 2024 21:29:16 +0530 Full Article Hockey
with IOC draws with NCOE; Railways thrashes TN By www.thehindu.com Published On :: Fri, 27 Sep 2024 04:38:00 +0530 With four of its key players suffering from viral fever, IOC wasn’t keen to push them, and it reflected in the way the team performed on the field Full Article Hockey
with Sreejesh withdraws from the HIL player auction to focus on coaching and mentorship instead By www.thehindu.com Published On :: Thu, 03 Oct 2024 01:30:00 +0530 In an exclusive interaction with The Hindu, Sreejesh confirms that he had written to Hockey India indicating his desire to step away from the field and groom the next generation of players. Full Article Hockey
with More options with IB, IGCSE By www.thehindu.com Published On :: Sun, 13 Mar 2016 17:00:50 +0530 These curricula prepare students for a university experience at home and abroad. Full Article Education Plus
with How to spacewalk : step-by-step with shuttle astronauts / created by Kathryn D. Sullivan, the first American woman to walk in space, and Michael J. Rosen ; illustrated with images from NASA and drawings by Michael J. Rosen By darius.uleth.ca Published On :: Sullivan, Kathy, 1951- author Full Article
with Mae and Gerty and the matter with matter / by Elaine Vickers ; illustrated by Erica Salcedo By darius.uleth.ca Published On :: Vickers, Elaine, author Full Article
with Selling 3G with 2G mindset By www.thehindubusinessline.com Published On :: Wed, 27 Feb 2013 16:15:08 +0530 Old world systems hamper the 3G user experience Full Article Thomas K Thomas
with Mind over matter : hard-won battles on the road to hope / Jordin Tootoo with Stephen Brunt By darius.uleth.ca Published On :: Tootoo, Jordin, 1983- author Full Article
with Dogtown / Katherine Applegate and Gennifer Choldenko ; with illustrations by Wallace West By darius.uleth.ca Published On :: Applegate, Katherine, author Full Article
with Poems to fall in love with / chosen and illustrated by Chris Riddell By darius.uleth.ca Published On :: Full Article
with Can you hear the plants speak? / Nicholas Hummingbird with Julia Wasson ; illustrations by Madelyn Goodnight By darius.uleth.ca Published On :: Hummingbird, Nicholas, author Full Article
with Electricity / Victoria M. Williams ; illustrated by Miguel Bustos ; with expert advice from Thomas Banyard By darius.uleth.ca Published On :: Williams, Victoria (Science writer), author Full Article
with An app with a taste for Indian languages By www.thehindubusinessline.com Published On :: Sun, 17 Dec 2023 21:56:00 +0530 Language Curry offers digital means to achieve multilingual proficiency Full Article Emerging Entrepreneurs
with Cool venture! Sunglasses with upcycled style quotient By www.thehindubusinessline.com Published On :: Sun, 28 Jan 2024 21:42:00 +0530 Pune-based Without crafts eyewear from recycled plastic waste Full Article Emerging Entrepreneurs
with Twinning climate tech with profits By www.thehindubusinessline.com Published On :: Sun, 28 Jan 2024 21:55:00 +0530 Avaana Capital looks for problem solvers with a differentiated approach Full Article Emerging Entrepreneurs
with A road inspector with AI prowess By www.thehindubusinessline.com Published On :: Sun, 07 Apr 2024 20:54:00 +0530 HanuAI uses artificial intelligence to detect and record defects on major and minor roads Full Article Emerging Entrepreneurs
with Sex-tech: Mixing pleasure with business By www.thehindubusinessline.com Published On :: Sun, 05 May 2024 20:41:00 +0530 Set to hit $2.09 billion by 2030, the booming sexual wellness industry in India is proving irresistible to fund houses Full Article Emerging Entrepreneurs
with What’s experience got to do with starting up? By www.thehindubusinessline.com Published On :: Sun, 05 May 2024 21:31:00 +0530 How important is work experience before venturing into entrepreneurship? Full Article Emerging Entrepreneurs
with SaaS: The clouds with the silver lining By www.thehindubusinessline.com Published On :: Sun, 02 Jun 2024 20:51:00 +0530 How software-as-a-service thrives in India even amid a downturn in the country’s start-up ecosystem Full Article Emerging Entrepreneurs