b Lattice thermal conductivity reduction in Ca3AlSb3 and Ca5Al2Sb6 by manipulating the covalent tetrahedral chain By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03574G, PaperChi Zhang, Wenya Zhai, Jingyu Li, Jianbo Zhu, Zengfu Ou, Lanwei Li, Peng-Fei Liu, Xiaobing Liu, Yuli Yan, Yongsheng ZhangExploring 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.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
b Ballistic transport in sub-10 nm monolayer InAs transistors for high-performance applications By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03789H, PaperTianruo Xie, Yuliang MaoThe modelling of double gate MOSFETs of monolayer InAsH2 is shown in (a). The corresponding transfer characteristics are shown for (b) n-type and (c) p-type, in which various doping concentrations are chosen.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
b 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
b 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
b High Chern number quantum anomalous Hall effect in monolayer Co3X3SSe (X = Sn, Pb) kagomes By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03625E, PaperXiang Yin, Li Deng, Fei Wang, Yanzhao Wu, Junwei Tong, Xianmin ZhangTwo-dimensional stable kagome ferromagnets Co3Sn3SSe and Co3Pb3SSe can realize the QAHE with a high Chern number of |C| = 3, and present intriguing possibilities for advancing intrinsic high Chern number QAH devices.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
b Structural Distortion Driven Polaronic Transport and Table-like Magnetocaloric Properties in Polycrystalline Tb0.7Sr0.3MnO3 compound By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03760J, PaperDipak Mazumdar, I. Das, Kalipada DasThis research mainly explores the structural, magnetic, magneto-transport, and magnetocaloric properties of the polycrystalline Tb0.7Sr0.3MnO3 compound. The results reveal a significant modification of the compound’s ground state with increasing the...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b The local atomic distribution in tetragonal PZT By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03354J, PaperJun-Yu Niu, zengzhe Xi, Chong LiExpanding on the comprehensive research conducted by previous scholars. Herein, to elucidate the intrinsic piezoelectricity of tetragonal Pb(Zr1-xTix)O3 (PZT), we focus on the local atomic distribution which was neglected for...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Electronic Relaxation Pathways in Thio-Acridone and Thio-Coumarin: Two Heavy-Atom-Free Photosensitizers Absorbing Visible Light By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03720K, Paper Open Access This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Chris Acquah, Sean J. Hoehn, Sarah E. Krul, Steffen Jockusch, Shudan Yang, Sourav Kanti Seth, Eric Lee, Han Xiao, Carlos E. Crespo-HernándezHeavy-atom-free photosensitizers (HAF-PSs) have emerged as a new class of photosensitizers aiming to broaden their applicability and versatility across various fields of the photodynamic therapy of cancers. The strategy involves...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP02875A, PaperNicholas Adu-Effah, Nabanita SaikiaNon-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...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b 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
b Translational diffusion, molecular brightness, and energy transfer analysis of mEGFP-linker-mScarlet–I crowding biosensor using fluorescence correlation spectroscopy By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03850A, PaperSarah A. Mersch, Clint McCue, Alexandros Aristidou, Erin D. Sheets, Arnold J. Boersma, Ahmed A. HeikalFluorescence correlation spectroscopy (FCS) is used for molecular brightness, Förster resonance energy transfer (FRET), protein–protein interactions, diffusion, and size analysis of mEGFP-linker-mScarlet–I constructs in crowded 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
b 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
b Simulation study of the conformation and dynamics of substrate-supported ring and linear polymer films By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02794A, PaperJianhua Huang, Hongzhu Ji, Jin Zhang, Zhunpeng WangRing polymers in substrate-supported films exhibit stronger adsorbability, less deformation, and similar dynamics suppression compared to linear polymers.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
b 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
b Radiolytic degradation of selective actinide extractants from the bis-1,2,4-triazine family in cyclohexanone solutions By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02623C, PaperAdrian Sulich, Jan Grodkowski, Krzysztof BobrowskiAbsorption spectra of transients derived from bis-1,2,4-triazine ligands in cyclohexanone solutions mimicking the extraction system studied by pulse radiolysis. The addition of benzophenone and saturation by O2 protect ligands from radiation damage.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
b Improved perovskite crystallization by antisolvent engineering in tin-perovskite photovoltaics By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP02655A, PaperXin Zhang, Yu Liu, Xinyao Chen, Chunqian Zhang, Jigang Wang, Jin Cheng, Junming LiBy 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.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
b Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP03303E, PaperEline Desmedt, Michiel Jacobs, Mercedes Alonso, Freija De VleeschouwerThe 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.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
b B92: a complete coating icosahedral B12 core-shell structure By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03471F, CommunicationYi-Sha Chen, Jing-Jing Guo, Peng-Bo Liu, Hui-Yan Zhao, Jing Wang, Ying LiuUsing first-principles calculations, this study unveils a spherically aromatic core-shell B12@B80 structure featuring a B12 icosahedral core, which is the minimum complete coating icosahedral B12 core-shell Bn cluster to date....The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Correlating Negative Thermal Expansion and Thermal Conductivity in Two-dimensional Carbon-based Materials By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03776F, PaperSoumya Mondal, Ayan DattaNegative thermal expansion (NTE) is a fascinating phenomenon where certain materials contract upon heating. The phonon transport properties of two-dimensional carbon-based allotropes are poorly understood in terms of their NTE...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Band alignment in CdS-α-Te van der Waals heterostructures for photocatalytic applications: Influence of biaxial strain and electric field By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03368J, PaperTejaswini G, Anjana E Sudheer , Muthu Vallinayagam, Matthias Posselt, Matthias Zschornak, Maniprakash S, D. MuraliWe 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...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Annealing approach to form a nanotube from graphdiyne ribbon: A theoretical prediction By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03573A, PaperBo Song, Kun Cai, Jiao Shi, Qinghua QinA precisely controllable heat treatment process is critical for nanofabrication. We developed a two-step method to fabricate a graphdiyne nanotube (GNT) through heat treatment in an argon environment. Initially, we...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Uniaxial Tensile Strain Impact on 1T-NbS2 Monolayers as Cathode Material for Lithium-Sulfur Batteries By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03156C, PaperShanling Ren, Xiaocong Tan, Xin Huang, zhihong yang, Yunhui WangIn 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...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Breaking the Brownian Barrier: Models and Manifestations of Molecular Diffusion in Complex Fluids By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP01813C, PerspectiveH. Srinivasan, Veerendra Kumar Sharma, Subhankur MitraOver a century ago, Einstein formulated a precise mathematical model for describing Brownian motion. While this model adequately explains the diffusion of micron-sized particles in fluids, its limitations become apparent...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b Extraction mechanism of phenolic compounds by deep eutectic solvents: DFT and molecular dynamics studies By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03453H, PaperLan Yi, Jinwen Wang, Jixing Liu, Hao Luo, Xiaoqin Wu, Wen-Ying LiThe 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...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b 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
b Identifying Winner-Takes-All Emergence in Random Nanowire Networks: an Inverse Problem By pubs.rsc.org Published On :: Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03242J, PaperFábio Rangel Duarte, shardul mukim, Mauro Ferreira, Claudia Gomes da RochaRandom nanowire networks (NWNs) are interconnects that enable the integration of nanoscopic building blocks (the nanowires) in a disorganized fashion, enabling the study of complex emergent phenomena in nanomaterials and...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
b A walk down the queer side of Varanasi | Debashish Paul’s first solo exhibition By www.thehindu.com Published On :: Fri, 18 Oct 2024 15:22:48 +0530 The artist explores his identity, and highlights self-doubt, desire and societal dissonance through performance images, sketches and sculptures Full Article Society
b How climate change has helped vineyards in Britain thrive By www.thehindu.com Published On :: Fri, 18 Oct 2024 16:07:43 +0530 Discover the rise of English wines, from picturesque vineyards to award-winning bottles, amidst a changing climate and growing acclaim Full Article Life & Style
b Disney’s new cruise set to sail in Singapore has Marvel and Pixar worlds onboard By www.thehindu.com Published On :: Fri, 18 Oct 2024 16:39:32 +0530 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 Full Article Life & Style
b For Cyrus Broacha, choosing a therapist is same as choosing a shampoo By www.thehindu.com Published On :: Fri, 18 Oct 2024 17:02:40 +0530 He goes for the cheapest and closest one Full Article Life & Style
b 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
b Unfolding the beauty of origami By www.thehindu.com Published On :: Sun, 20 Oct 2024 09:00:00 +0530 Have you ever found a piece of paper and folded it into something beautiful like a flower or an aeroplane? If so, then you dabbled into the art of paper folding called Origami. From simple cranes to creative geometric stuff, origami is more than paper folding; it combines art, culture and science. Let’s unfold everything about origami! Full Article Children
b Riyadh Season 2024: As part of cultural diplomacy, Saudi Arabia celebrates Indian diversity in mega tourism event By www.thehindu.com Published On :: Mon, 21 Oct 2024 21:01:33 +0530 The Indian diaspora in Saudi Arabia has grown over the years and with 2.4 million expat workers it has the second largest number of foreign workers in Saudi Arabia Full Article Life & Style
b Anna Samuel’s hyper reality cakes come in the form of biryanis and kappa-meen curry By www.thehindu.com Published On :: Tue, 22 Oct 2024 15:19:57 +0530 Anna’s cakes are customised to suit client’s tastes and each is a piece of edible art Full Article Features
b Breaking barriers: Display by neurodiverse artists at Salar Jung Museum in Hyderabad By www.thehindu.com Published On :: Tue, 22 Oct 2024 15:27:19 +0530 The Art Sanctuary presents a curated art show created by neurodiverse individuals, for the first time in Hyderabad Full Article Art
b 170 Not Out celebrates India Posts, Gandhiji and human existence By www.thehindu.com Published On :: Tue, 22 Oct 2024 16:51:39 +0530 170 Not Out is more than an exhibition on stamps — it gives visitors a glimpse into different facets of human existence Full Article Life & Style
b Old Mahabalipuram Road, a late-night food haven for the young and old By www.thehindu.com Published On :: Tue, 22 Oct 2024 22:53:14 +0530 Full Article Tamil Nadu
b Bengaluru in shades of grey, green and blue By www.thehindu.com Published On :: Wed, 23 Oct 2024 09:00:00 +0530 Jagdish Krishnaswamy, who is working on building a long-term urban ecological observatory in Bengaluru, says that blue, green, and grey infrastructure can be integrated to sustain urban biodiversity Full Article Bengaluru
b Hyderabad’s physician-musician Dr Bunty has composed for 100 Telugu serials By www.thehindu.com Published On :: Wed, 23 Oct 2024 14:50:47 +0530 As a new serial Abhinandana airs on Gemini, Dr Bunty talks about navigating dual vocations Full Article Entertainment
b Say ‘I do’ at these off-beat wedding venues like vineyards, trains, and museums By www.thehindu.com Published On :: Wed, 23 Oct 2024 18:16:56 +0530 From heritage mansions to sunny beaches, we find examples of unique locations where you can tie the knot Full Article Life & Style
b Chennai | Memories and mothers are the centre of this exhibition-performance by Nimi Ravindran By www.thehindu.com Published On :: Thu, 24 Oct 2024 07:56:48 +0530 Nimi Ravindran decides to open her Pandora’s box to mediate on memories and mothers at this exhibition-performance Full Article Art
b Sanjeev Abhyankar’s Deepavali concert in Hyderabad By www.thehindu.com Published On :: Thu, 24 Oct 2024 13:02:40 +0530 The musical concert at 6am will have a combination of classical and devotional songs Full Article Music
b Chennai | Catch Aladdin live as Union Christian School brings the magic to Museum Theatre By www.thehindu.com Published On :: Thu, 24 Oct 2024 13:17:16 +0530 Get ready to be swept away on a magical journey as the timeless tale of Aladdin comes to life on stage Full Article Theatre
b French artist Charles Foussard brings his mural art to Hyderabad By www.thehindu.com Published On :: Thu, 24 Oct 2024 13:56:16 +0530 Painted as part of the fourth edition of the Wall Art Festival, Charles Foussard’s mural explores the interconnectedness between humans and the Universe Full Article Art
b Kochi-based brand Papier Culture revives the ancient art of paper making By www.thehindu.com Published On :: Thu, 24 Oct 2024 22:01:42 +0530 Papier Culture, founded by Hilonee K Shah, makes sustainable products with recycled paper Full Article Life & Style
b Planning to order bakshanams for Deepavali? Chennai’s caterers have you covered By www.thehindu.com Published On :: Fri, 25 Oct 2024 14:56:39 +0530 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 Full Article Features
b 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
b Building skinny homes By www.thehindu.com Published On :: Fri, 25 Oct 2024 17:40:19 +0530 From Tokyo to Toronto to New Delhi and Thrissur, the challenges of a narrow plot have paved the way for architectural innovations, both in India and globally Full Article Homes and gardens
b Chennai’s House of Thinai launches travelling exhibition linking Madras checks and generative art technology By www.thehindu.com Published On :: Wed, 30 Oct 2024 08:48:25 +0530 Alongside championing jamakalam and Lambadi embroidery on furniture, House of Thinai’s latest initiative links Madras checks and generative art technology Full Article Life & Style
b Delhi’s Broadway 2.0 – The return of an icon By www.thehindu.com Published On :: Wed, 30 Oct 2024 13:27:31 +0530 Established in 1956, Hotel Broadway hosted diplomats, politicians, artists, and writers till it closed in 2020. It is now gearing up for another innings, starting with the reopening of Chor Bizarre featuring a longer menu, but the same music playlist Full Article Features
