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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, 26,27591-27601
DOI: 10.1039/D4CP03178D, Paper
David M. T. Kuo
This study investigates the band inversion of flat bands in zig-zag graphene nanoribbons (ZGNRs) using a tight-binding model.
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Experimental and simulation study of reverse micelles formed by aerosol-OT and water in non-polar solvents

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27772-27782
DOI: 10.1039/D4CP03389B, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Angie Mat'usová, Georgina Moody, Peter J. Dowding, Julian Eastoe, Philip J. Camp
Small-angle neutron scattering and molecular dynamics simulations are used to characterise aerosol-OT reverse micelles. Simulations capture spontaneous self-assembly, compare favourably with experiments, and give microscopic information.
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Exploring the valleytronic, optical, and piezoelectric properties of Janus MoBXY2 (X = N, P; Y = S, Se, Te) monolayers for multifunctional applications

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03793F, Paper
Luogang Xie, Lingli Wang, YanDong Ma, Hongyan Lu, Yang Yang
Unveiling novel Janus MoBXY2 monolayers with unique valleytronic, optical, and piezoelectric properties for multifunctional applications.
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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 Article
DOI: 10.1039/D4CP01700E, Paper
Guowei Yan, Ji Ma, Simeng Qi, Alexander M. Kirillov, Lizi Yang, Ran Fang
The 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).
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Unveiling distinct bonding patterns in noble gas hydrides via interference energy analysis

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP04028G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lucas Araujo, Marco A. C. Nascimento, Thiago M. Cardozo, Felipe Fantuzzi
SCGVB calculations show that in noble gas hydride ions NgH+ (Ng = He–Ar), energy well formation is driven by quantum interference. At equilibrium bond lengths, HeH+ and ArH+ exhibit covalent Ng+–H bonds, while NeH+ possesses a dative Ne → H+ bond.
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Synthesis and modification of boron nitride nanomaterials for gas sensors: from theory to application

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02137A, Review Article
Yan Zhang, Yan Wang, Cong Qin, Jianliang Cao
The synthesis and modification of BN based nanomaterials for gas sensors is summarized from theory to application.
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Insight into the potential of M–NbS2 (M = Pd, Ti and V) monolayers as anode materials for alkali ion (Li/Na/K) batteries

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03744H, Paper
Meixia Xiao, Shuling Xu, Haiyang Song, Zhifei Sun, Jiaying Bi, Beibei Xiao
First-principles calculations were conducted to explore the effects of Pd, Ti and V doping on the performance of NbS2 monolayers as electrode materials for alkali ion batteries.
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Crystallographic models of ribbons and ribbon-based J-aggregate nanotubes from the geometry of tube ends

By pubs.rsc.org
Published On ::

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

By pubs.rsc.org
Published On ::

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

By pubs.rsc.org
Published On ::

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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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 Manuscript
DOI: 10.1039/D4CP03760J, Paper
Dipak Mazumdar, I. Das, Kalipada Das
This 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...
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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 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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Investigating Ni nanoparticles on CeO2 for methane dissociation: a comparative study of theoretical calculations and experimental insights

By pubs.rsc.org
Published On ::

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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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 Article
DOI: 10.1039/D4CP02623C, Paper
Adrian Sulich, Jan Grodkowski, Krzysztof Bobrowski
Absorption 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.
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Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning

By pubs.rsc.org
Published On ::

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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Annealing approach to form a nanotube from graphdiyne ribbon: A theoretical prediction

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03573A, Paper
Bo Song, Kun Cai, Jiao Shi, Qinghua Qin
A 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...
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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 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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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 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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Identifying Winner-Takes-All Emergence in Random Nanowire Networks: an Inverse Problem

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03242J, Paper
Fábio Rangel Duarte, shardul mukim, Mauro Ferreira, Claudia Gomes da Rocha
Random 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...
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‘A Song From Where I Live’: Visual narrative dipped in nostalgia

By www.thehindu.com
Published On :: Mon, 21 Oct 2024 16:07:35 +0530

Architects and authors Smrithi Devakumar and Anusha Veluswamy on ‘A Song From Where I Live’ and their idea of picture books for all ages


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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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  • Life & Style
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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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  • Life & Style
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Why Generation Now must know Charles Correa

By www.thehindu.com
Published On :: Fri, 01 Nov 2024 13:03:42 +0530

Architect Charles Correa’s work, his larger social vision, and his commitment to a modern India with housing is always relevant


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  • Homes and gardens
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Q & A: What is the standard car park stall size as per CMDA norms?

By www.thehindu.com
Published On :: Fri, 25 Jan 2013 16:16:48 +0530

Your construction-related queries answered by Green Evolution, a Chennai-based architectural service firm


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  • Q & A
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Renovating existing property

By www.thehindu.com
Published On :: Fri, 17 Apr 2015 15:10:41 +0530

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


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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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3 Essential Design Trends, November 2024

By webdesignerdepot.com
Published On :: Mon, 21 Oct 2024 05:07:00 +0000

Touchable texture, distinct grids, and two-column designs are some of the most trending website design elements of November 2024.


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Building a firm foundation in vacuum technology

By physicsworld.com
Published On :: 2018-02-13T09:37:41Z

Sponsored article: One company's evolution from a small component manufacturer to a major supplier of precision vacuum equipment highlights the importance of expert knowledge for winning customer trust


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Organohypervalent heterocycles

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D2CS01055K, Review Article
Ravi Kumar, Toshifumi Dohi, Viktor V. Zhdankin
This review summarizes structural and synthetic aspects of heterocyclic molecules incorporating an atom of a hypervalent main-group element. The higher thermal stability of hypervalent heterocycles, as compared to their acyclic analogs, adds special feature to their chemistry.
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Advancing nanotechnology for neoantigen-based cancer theranostics

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3224-3252
DOI: 10.1039/D3CS00162H, Tutorial Review
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jianhua Zou, Yu Zhang, Yuanbo Pan, Zhengwei Mao, Xiaoyuan Chen
Developing nanotechnology for neoantigen-based precision therapy, including photodynamic therapy, photothermal therapy, radiotherapy, chemo/chemodynamic therapy, immunotherapy, and other therapies.
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Organoboron-mediated polymerizations

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3384-3456
DOI: 10.1039/D3CS00115F, Review Article
Yao-Yao Zhang, Guan-Wen Yang, Chenjie Lu, Xiao-Feng Zhu, Yuhui Wang, Guang-Peng Wu
This review provides a comprehensive summary of organoboron-mediated free radical polymerization, Lewis pair polymerization, ionic polymerization, and polyhomologation, laying the groundwork for further establishment of polymerization methods.
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Innovative, combinatorial and high-throughput approaches to degrader synthesis

By pubs.rsc.org
Published On ::

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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SERS-based microdevices for use as in vitro diagnostic biosensors

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01055D, Review Article
Sungwoon Lee, Hajun Dang, Joung-Il Moon, Kihyun Kim, Younju Joung, Sohyun Park, Qian Yu, Jiadong Chen, Mengdan Lu, Lingxin Chen, Sang-Woo Joo, Jaebum Choo
This review explores various microdevices developed for applying SERS technology to in vitro diagnostics and delves into their clinical applications.
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The circular economy of water across the six continents

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00812F, Tutorial Review
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Mohammad Peydayesh, Raffaele Mezzenga
Water is our most valuable and precious resource, yet it is only available in a limited amount.
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Selective C(aryl)–O bond cleavage in biorenewable phenolics

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00570D, Review Article
Gilles De Smet, Xingfeng Bai, Bert U. W. Maes
Selective removal of the hydroxy, methoxy or both groups in biorenewable oxygenated arenes (derived from lignin depolymerization) provides, respectively, anisoles, phenols and benzenes.
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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, 53,3774-3828
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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Electrochemical coupling in subnanometer pores/channels for rechargeable batteries

By pubs.rsc.org
Published On ::

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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DNA nanostructures for exploring cell–cell communication

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,4020-4044
DOI: 10.1039/D3CS00944K, Review Article
Ya Wang, Yamin Xiong, Kangqi Shi, Clement Yaw Effah, Lulu Song, Leiliang He, Jianbo Liu
This review is dedicated to offering a new perspective on using DNA nanostructures to explore the progress of cell–cell communication.
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Peptide-based self-assembled monolayers (SAMs): what peptides can do for SAMs and vice versa

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3714-3773
DOI: 10.1039/D3CS00921A, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Carlos Redondo-Gómez, Paula Parreira, M. Cristina L. Martins, Helena S. Azevedo
Self-assembled monolayers (SAMs) based on peptides represent a reproducible platform for screening and studying peptide functions and facilitating their translation into multidisciplinary applications.
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Nanochemistry of gold: from surface engineering to dental healthcare applications

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3656-3686
DOI: 10.1039/D3CS00894K, Review Article
Shuang Zhang, Na Kong, Zezheng Wang, Yangheng Zhang, Can Ni, Lingjun Li, Hongbin Wang, Min Yang, Wenrong Yang, Fuhua Yan
This review provides a comprehensive overview of the latest nanochemistry advancements in the design, synthesis, and utilization of engineered gold nanostructures (GNSs) for dental healthcare applications.
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Motor racing | Verstappen wants more focus on car, not Red Bull drama

By www.thehindu.com
Published On :: Fri, 22 Mar 2024 04:01:00 +0530

Verstappen, who has won the last three world championships with Red Bull, said the internal strife had no impact on his performance or comfort within the team.


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Daruvala scores his first points in Formula E at Misano ePrix

By www.thehindu.com
Published On :: Mon, 15 Apr 2024 20:10:11 +0530


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Another race, another victory for Red Bull’s Max Verstappen at Chinese GP

By www.thehindu.com
Published On :: Sun, 21 Apr 2024 14:43:24 +0530

The three-time defending champion won the Chinese Grand Prix on April 21 starting from pole, his fourth victory in five races this season and his 23rd in the last 27 extending through last season.


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Lando Norris earns 1st career F1 victory by ending Verstappen's dominance at Miami

By www.thehindu.com
Published On :: Mon, 06 May 2024 07:58:07 +0530

Lando Norris needed 110 starts and a mistake by Max Verstappen to earn his first ever Formula 1 race and end Verstappen’s dominance at the Miami Grand Prix


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

By www.thehindu.com
Published On :: Fri, 21 Jun 2024 04:53:00 +0530

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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Unfazed by fire in McLaren’s facility, Norris edges Verstappen for pole at Spanish GP

By www.thehindu.com
Published On :: Sat, 22 Jun 2024 23:08:07 +0530

Lando Norris has snatched pole position from Max Verstappen during qualifying for the Spanish Grand Prix


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Max Verstappen holds off Lando Norris to win Spanish GP and increase F1 lead

By www.thehindu.com
Published On :: Sun, 23 Jun 2024 23:31:21 +0530

Max Verstappen has steered his Red Bull to victory at the Spanish Grand Prix to increase his lead of the Formula 1 drivers championship


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Max Verstappen resists Norris attack to win Austrian GP sprint race

By www.thehindu.com
Published On :: Sat, 29 Jun 2024 17:02:28 +0530

The series leader and three-time world champion delivered a home win at the Red Bull Ring with a fighting response after being passed by McLaren’s Norris in the opening laps.


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F1: Lando Norris takes Hungary pole in McLaren front row lockout

By www.thehindu.com
Published On :: Sun, 21 Jul 2024 05:45:00 +0530

Lando Norris leads Oscar Piastri in McLaren qualifying one-two; Verstappen comes third


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Rally of Coimbatore | No stopping Aditya Thakur

By www.thehindu.com
Published On :: Sun, 28 Jul 2024 18:14:08 +0530


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