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First-principles study on the lithiation process of amorphous SiO anode for Li-ion batteries with Bayesian optimization

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Phys. Chem. Chem. Phys., 2024, 26,27561-27566
DOI: 10.1039/D4CP02533D, Paper
Ryoya Shintaku, Tomoyuki Tamura, Shogo Nogami, Masayuki Karasuyama, Takakazu Hirose
Bayesian optimization allows theoretical investigation of the lithiation process of amorphous SiO anode materials for lithium (Li) ion batteries (LIBs).
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On the peculiar EPR spectra of P1 centers at high (12–20 T) magnetic fields

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Phys. Chem. Chem. Phys., 2024, 26,27633-27647
DOI: 10.1039/D4CP03055A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Orit Nir-Arad, Eyal Laster, Mais Daksi, Nurit Manukovsky, Ilia Kaminker
State mixing at a high magnetic field in the well-studied nitrogen substitutions in diamonds leads to unique electron spin spectral properties.
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Effects of oxidizer concentration and abrasive type on interfacial bonding and material removal in 4H-SiC polishing processes

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Phys. Chem. Chem. Phys., 2024, 26,27791-27806
DOI: 10.1039/D4CP03544E, Paper
Yuqi Zhou, Kezhong Xu, Yuhan Gao, Ziniu Yu, Fulong Zhu
Two different modes of material removal are defined based on the difference in the mode of atom removal, i.e., mechanical removal and removal associated with interfacial bonding.
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A combination of experimental and theoretical methods in evaluating triazole derivatives' mild steel corrosion inhibition ability in an acidic solution

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03537B, Paper
Ngo Hong Cat Van, Nguyen Quang Trung, Pham Dinh Tu Tai, Pham Cam Nam, Dinh Quy Huong
The introduction of many nitrogen heteroatoms into inhibitor molecules improves corrosion inhibition efficiency.
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High-level ab initio characterization of the OH + CH3NH2 reaction

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP01470G, Paper
Open Access
Balázs Gruber, Gábor Czakó
High-level ab initio computations considering post-CCSD(T), core correlation, scalar relativistic, and spin–orbit effects reveal the stationary-point properties and rate coefficients of the OH + CH3NH2 reaction.
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Exploring the electrochemical properties and lithium insertion mechanisms in akaganeite (β-FeOOH) – a combined DFT/experimental study

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02947J, Paper
Paulo Roberto Garcês Gonçalves, Heitor Avelino De Abreu, Luciano Andrey Montoro, Gabriela Cordeiro Silva, Angela de Mello Ferreira, Hélio Anderson Duarte
Unveiling the unique charge/discharge characteristics of akaganeite offers valuable insights into electron transfer mechanisms through experimental and DFT calculations.
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Prediction of high-temperature superconductors at ambient pressure with diamond-like structures: B2CX (X = N, P)

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03755C, Paper
Yi Wan, Ying-Jie Chen, Shu-Xiang Qiao, Kai-Yue Jiang, Guo-Hua Liu, Na Jiao, Ping Zhang, Hong-Yan Lu
We 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.
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Morphology optimization via pre-aggregation and miscibility matching in PM6:L8-BO ternary organic solar cells

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03206C, Paper
Chuyue Wei, Junwei Zhang, Jing Deng, Xiangyan Yang, Jiahui Luo, Zixiao Xu, Lin Zhang, Shuaishuai Yuan, Weihua Zhou
Pre-aggregation and miscibility matching accounting for morphology optimization in ternary organic solar cells based on a PM6:L8-BO system.
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Crystallographic models of ribbons and ribbon-based J-aggregate nanotubes from the geometry of tube ends

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03559C, Paper
Valery V. Prokhorov, Kirill A. Prusakov, Sergey I. Pozin, Olga M. Perelygina, Eugene I. Mal’tsev, Alexander A. Nekrasov
We propose the procedure of establishing the crystal structure of ribbons and ribbon-based tubes on the basis of crystallographic analysis of the tube-end geometry.
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Ballistic transport in sub-10 nm monolayer InAs transistors for high-performance applications

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03789H, Paper
Tianruo Xie, Yuliang Mao
The 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.
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High Chern number quantum anomalous Hall effect in monolayer Co3X3SSe (X = Sn, Pb) kagomes

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03625E, Paper
Xiang Yin, Li Deng, Fei Wang, Yanzhao Wu, Junwei Tong, Xianmin Zhang
Two-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.
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Electronic Relaxation Pathways in Thio-Acridone and Thio-Coumarin: Two Heavy-Atom-Free Photosensitizers Absorbing Visible Light

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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03720K, Paper
Open Access
Chris Acquah, Sean J. Hoehn, Sarah E. Krul, Steffen Jockusch, Shudan Yang, Sourav Kanti Seth, Eric Lee, Han Xiao, Carlos E. Crespo-Hernández
Heavy-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...
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Rationalizing polymorphism with local correlation-based methods: a case study of pnictogen molecular crystals

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 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. Auer
Combined 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.
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Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning

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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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Uniaxial Tensile Strain Impact on 1T-NbS2 Monolayers as Cathode Material for Lithium-Sulfur Batteries

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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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A composite of pineapple leaf-derived porous carbon integrated with ZnCo-MOF for high-performance supercapacitors

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02882A, Paper
Xiaoxiao Ma, Yunfan Bai, Shuangli Chen, Zhixian He, Pingping Wu, Yabing Qi, Sijing Zhang
Pineapple 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.
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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


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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


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A documentary, new launches mark Hindustan Trading Company’s 50th anniversary

By www.thehindu.com
Published On :: Wed, 23 Oct 2024 17:46:35 +0530

Hindustan Trading Company turns 50 this week with new products, and a documentary on late founder PN Venketakrishnan


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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 


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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


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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


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  • Life & Style
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Children across India to fold origami paper cranes in memory of Sadako Sasaki

By www.thehindu.com
Published On :: Thu, 24 Oct 2024 22:08:10 +0530

The Cuckoo Movement for Children and the Peace of Paper studio invite children to fold origami paper cranes in memory of Sadako Sasaki, whose death anniversary falls on October 25


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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


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Festive decor trends highlight contemporary aesthetics and craftsmanship

By www.thehindu.com
Published On :: Fri, 25 Oct 2024 15:25:57 +0530

Curating a home today goes beyond conventional decor. It is about telling a story through accents, blending nostalgia with contemporary aesthetics, and celebrating craftsmanship


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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


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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


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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


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Musician Jassie Gift on his two-decade-long career, his latest collaboration ‘Thakthom’ and more 

By www.thehindu.com
Published On :: Wed, 30 Oct 2024 14:40:26 +0530

The Afro hip-hop song ‘Thakthom’ is a collaboration with Ireland-based Malayali musicians and influencers Reyan and Melvin


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

By www.thehindu.com
Published On :: Fri, 01 Nov 2024 15:17:24 +0530

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

By www.thehindu.com
Published On :: Fri, 01 Nov 2024 16:03:49 +0530

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

By www.thehindu.com
Published On :: Fri, 08 Nov 2024 12:26:09 +0530

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


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  • Life & Style
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What is your design philosophy?

By www.thehindu.com
Published On :: Fri, 09 May 2014 21:46:06 +0530

City-based Neeras Design Studio completes a year in the elite interiors segment.Sadhana Srinivasan, CEO, who studied design at the Inchbald School of Design talks to Lakshmi Krupa about the luxury market, international brands and more…


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Banjara Hills is much sought after for commercial and residential spaces

By www.thehindu.com
Published On :: Fri, 16 Oct 2015 14:51:07 +0530

Your property-related queries answered by Karan Rathod of ‘K Valuations’, Begumpet


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  • Q & A
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Ownership based on a Will

By www.thehindu.com
Published On :: Fri, 18 Dec 2015 12:49:27 +0530

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


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Ownership of parking space

By www.thehindu.com
Published On :: Fri, 26 Feb 2016 15:15:04 +0530

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


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PIX: Arjun Rampal Hits 50!

By www.rediff.com
Published On :: Tue, 29 Nov 2022 17:25:00 +0530

'Went for a white party where the host turns up in green.'


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

By pubs.rsc.org
Published On ::

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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Empowering ultrathin polyamide membranes at the water–energy nexus: strategies, limitations, and future perspectives

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00803G, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Pulak Sarkar, Chenyue Wu, Zhe Yang, Chuyang Y. Tang
This review details the design and creation of ultrathin polyamide membranes with significant enhancement in water permeance along with the limitations and potential strategies to empower their efficacy in ionic and molecular separations.
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Microstructures of layered Ni-rich cathodes for lithium-ion batteries

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00741C, Review Article
Jingyu Lu, Chao Xu, Wesley Dose, Sunita Dey, Xihao Wang, Yehui Wu, Deping Li, Lijie Ci
The microstructural degradation, stabilization, and characterization of layered Ni-rich cathodes for Li-ion batteries are comprehensively reviewed in this paper.
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Towards high performance and durable soft tactile actuators

By pubs.rsc.org
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Chem. Soc. Rev., 2024, 53,3485-3535
DOI: 10.1039/D3CS01017A, Review Article
Open Access
Matthew Wei Ming Tan, Hui Wang, Dace Gao, Peiwen Huang, Pooi See Lee
This review assesses diverse strategies to enhance the actuation performance and durability of soft tactile actuators, enabling optimal functionality in real-world conditions.
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Layer-by-layer thinning of two-dimensional materials

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00817G, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Phuong V. Pham, The-Hung Mai, Huy-Binh Do, M. Vasundhara, Van-Huy Nguyen, Trieu Nguyen, Hao Van Bui, Van-Duong Dao, Ram K. Gupta, Vinoth Kumar Ponnusamy, Jin-Hong Park
Etching technology – one of the representative modern semiconductor device makers – serves as a broad descriptor for the process of removing material from the surfaces of various materials, whether partially or entirely.
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Innovative, combinatorial and high-throughput approaches to degrader synthesis

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01127E, Tutorial Review
Rebecca Stevens, James D. F. Thompson, Julie C. L. Fournier, Glenn A. Burley, David J. Battersby, Afjal H. Miah
In this review we highlight how the synthesis of degraders has evolved in recent years, in particular the application of high-throughput chemistry and screening approaches such as D2B and DEL technologies to expedite discovery timelines.
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Bridging the gap between academic research and industrial development in advanced all-solid-state lithium–sulfur batteries

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00439B, Review Article
Jieun Lee, Chen Zhao, Changhong Wang, Anna Chen, Xueliang Sun, Khalil Amine, Gui-Liang Xu
This review builds upon the fundamentals and substantial progress achieved, aiming to inspire the battery community to advance all-solid-state lithium–sulfur batteries toward practical applications and accelerate the industrialization process.
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Engineered two-dimensional nanomaterials based diagnostics integrated with internet of medical things (IoMT) for COVID-19

By pubs.rsc.org
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Chem. Soc. Rev., 2024, 53,3774-3828
DOI: 10.1039/D3CS00719G, Review Article
Mohd. Abubakar Sadique, Shalu Yadav, Raju Khan, Avanish K. Srivastava
Engineered 2D nanomaterials-based smartphone-assisted detection approaches integrated with IoMT, focusing on reliable, sensitive, and rapid diagnostics for COVID-19.
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Routes to high-performance layered oxide cathodes for sodium-ion batteries

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,4230-4301
DOI: 10.1039/D3CS00929G, Review Article
Jingqiang Wang, Yan-Fang Zhu, Yu Su, Jun-Xu Guo, Shuangqiang Chen, Hua-Kun Liu, Shi-Xue Dou, Shu-Lei Chou, Yao Xiao
Various optimization strategies are reviewed and summarized to formulate design principles for layered oxide cathodes for sodium-ion batteries.
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Recycling of spent lithium-ion batteries for a sustainable future: recent advancements

By pubs.rsc.org
Published On ::

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.
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Formula 4 night street car race | Madras High Court waves green flag

By www.thehindu.com
Published On :: Mon, 19 Feb 2024 12:48:37 +0530

Justices R. Mahadevan and Mohammed Shaffiq refrain from stalling the conduct of the race, they permit TN government to conduct the race with certain conditions


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Daily Quiz | On history of the World Championships 

By www.thehindu.com
Published On :: Mon, 19 Feb 2024 17:00:00 +0530

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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