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Advancing triage of acute lymphoblastic leukaemia subtypes diagnosis: label-free Raman spectroscopy for precise single-cell phenotyping and subtype classification

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5443-5454
DOI: 10.1039/D4AN00956H, Paper
Patrycja Leszczenko, Anna M. Nowakowska, Patrycja Dawiec, Karolina Czuja, Justyna Jakubowska, Marta Zabczynska, Agata Pastorczak, Kinga Ostrowska, Szymon Tott, Wojciech Mlynarski, Malgorzata Baranska, Katarzyna Majzner
Acute lymphoblastic leukaemia (ALL) is a complex disease in pediatric oncology, necessitating accurate diagnostic strategies for effective treatment planning.
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Selection of DNA aptamers for detecting metronidazole and ibuprofen: two common additives in soft drinks

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5482-5490
DOI: 10.1039/D4AN01186D, Paper
Jin Wang, Xiangmei Li, Hongtao Lei, Juewen Liu
Using capture-SELEX, short aptamers for metronidazole and ibuprofen were isolated and they can be used for the detection of these drugs illicitly added to soft drinks.
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Evaluating protocols for reproducible targeted metabolomics by NMR

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Analyst, 2024, 149,5423-5432
DOI: 10.1039/D4AN01015A, Paper
Darcy Cochran, Panteleimon G. Takis, James L. Alexander, Benjamin H. Mullish, Nick Powell, Julian R. Marchesi, Robert Powers
Evaluating how sample preparation methods and data analysis platforms impact measured metabolite concentrations underscores the need for a universal consensus in the followed approaches for metabolomics data analysis.
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Screen printed 3D microfluidic paper-based and modifier-free electroanalytical device for clozapine sensing

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5411-5422
DOI: 10.1039/D4AN01136H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Mohammad Hossein Ghanbari, Markus Biesalski, Oliver Friedrich, Bastian J. M. Etzold
Screen printing was employed for the first time to examine the effect of electrode size and arrangement on the performance of a microfluidic paper-based electroanalytical device for clozapine sensing.
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A nano-biosensing platform based on CuS-BSA for label-free fluorescence detection of Escherichia coli

By pubs.rsc.org
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Analyst, 2024, 149,5394-5400
DOI: 10.1039/D4AN01060D, Paper
Xiaoqing Zhang, Shanglin Li, Mei Liu
A fluorescence biosensing strategy was developed based on CuS-BSA for sensitive and rapid detection of Escherichia coli.
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Double-channel sensors for high precision measurement of methane based on a dual-path Herriott cell

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5527-5534
DOI: 10.1039/D4AN01107D, Paper
Hongliang Ma, Shiqi Wang, Gaoxuan Wang, Qilei Zhang, Shenlong Zha, Xueyuan Cai, Lingli Li, Pan Pan, Qiang Liu, Shengbao Zhan
A novel method combining dual-channel concentration signal averaging with detector gain optimization is proposed to improve the measurement precision and response speed of the sensor within the 1–10 second integration time.
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Nanozyme linked multi-array gas driven sensor for real-time quantitative detection of Group A streptococcus

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5433-5442
DOI: 10.1039/D4AN00787E, Paper
Qi Wang, Pei Liu, Ke Xiao, Wenying Zhou, Jinfeng Li, Yun Xi
Group A streptococcus (GAS) is a pathogen typically transmitted through respiratory droplets and skin contact, causing an estimated 700 million mild non-invasive infections worldwide each year.
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Designing a novel paper-based microfluidic disc for rapid and simultaneous determination of multiple nutrient salts in water

By pubs.rsc.org
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Analyst, 2024, 149,5563-5571
DOI: 10.1039/D4AN01127A, Paper
Zhentao Sun, Youquan Zhao, Yameng Liu, Chen Chen, Hao Chen
A paper-based microfluidic disc is used for the rapid determination of various nutrients in water.
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A gold nanomaterial-integrated distance-based analytical device for uric acid quantification in human urine samples

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5518-5526
DOI: 10.1039/D4AN01139B, Paper
Tapparath Leelasattarathkul, Thithawat Trakoolwilaiwan, Kawin Khachornsakkul
A simple and low-cost distance-based paper analytical device (dPAD) was combined with gold nanomaterials for uric acid quantification.
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Acoustic levitation and manipulation of columns of droplets with integrated optical detection for parallelisation of reactions

By pubs.rsc.org
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Analyst, 2024, 149,5546-5554
DOI: 10.1039/D4AN01096E, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ruchi Gupta, Nicholas J. Goddard
In this work, acoustically levitated droplets serve as wells of microtitre plates and are acoustically manipulated to perform chemical and biological reactions in a non-contact fashion.
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An improved cancer diagnosis algorithm for protein mass spectrometry based on PCA and a one-dimensional neural network combining ResNet and SENet

By pubs.rsc.org
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Analyst, 2024, Advance Article
DOI: 10.1039/D4AN00784K, Paper
Liang Ma, Wenqing Gao, Xiangyang Hu, Dongdong Zhou, Chenlu Wang, Jiancheng Yu, Keqi Tang
An improved cancer diagnosis algorithm for protein mass spectrometry based on PCA and 1D neural network combining ResNet and SENet is proposed and successfully applied to the diagnosis of ovarian cancer with high accuracy and strong fitting ability.
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Capillary-flow driven microfluidic sensor based on tyrosinase for fast user-friendly assessment of pesticide exposures

By pubs.rsc.org
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Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01203H, Paper
Open Access
Claire E. Hefner, Prakash Aryal, Eric Brack, Todd Alexander, Charles S. Henry
Assessment of pesticide exposure using a fast-flow capillary device (created with Bio.Render.com).
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Molecularly imprinted polymer sensors for biomarker detection in cardiovascular diseases

By pubs.rsc.org
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Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01103A, Critical Review
Wenteng Tang, Junlei Han, Wenhong Zhang, Huimin Li, Jun Chen, Wei Song, Li Wang
Molecularly imprinted polymer sensors, combined with electrochemical, optical, thermal, and acoustic detection technologies, detect biomarkers for key cardiovascular diseases: coronary artery disease, acute myocardial infarction, and heart failure.
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A Novel Light-Harvesting ZIF-9-TCPP as a Promising FRET-based Ratiometric Fluorescence Probe for Sperm Mobility

By pubs.rsc.org
Published On ::

Analyst, 2024, Accepted Manuscript
DOI: 10.1039/D4AN01305K, Paper
Yi-Xuan Li, Yu-Xuan Dai, Ju-Zheng Wang, Jérôme Chauvin, Xueji Zhang, Serge Cosnier, Robert Marks, Dan Shan
The concentration of zinc ions in semen is significantly correlated to the sperm viability and male fertility. In this work, a reliable ratiometric fluorescence probe (ZIF-9-TCPP) based on the efficient...
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Near-infrared frequency upconversion fluorescent probe for rapid and sensitive visual detection of sulfur dioxide

By pubs.rsc.org
Published On ::

Analyst, 2024, Accepted Manuscript
DOI: 10.1039/D4AN01269K, Paper
Hong Zeng, Xiao Ma, Shufen Pan, Yuting Han, Yanyan Tang, Yulan Fan, Yongquan Wu
Inflammation is a complex physiological response involving various cellular and molecular events. Sulfur dioxide (SO2), which is usually in the form of HSO3- and SO32- under physiological conditions, plays a...
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Electrochemically modulated surface plasmon waves for characterization and interrogation of DNA-based sensors

By pubs.rsc.org
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Analyst, 2024, Advance Article
DOI: 10.1039/D4AN01164C, Paper
Anil Sharma, Thomas Hulse, Aymen H. Qatamin, Monica Moreno, Klester S. Souza, Marcelo B. Pereira, Fabricio S. Campos, Leandro B. Carneiro, Antonio M. H. de Andrade, Paulo M. Roehe, Flavio Horowitz, Sergio B. Mendes
This article focuses on the application of electrochemically modulated surface plasmon waves for structural characterization and for assessing signal transduction performance of redox-labeled DNA-based sensing platforms.
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Time for a trailer on Facebook

By www.thehindubusinessline.com
Published On :: Thu, 14 Mar 2013 11:03:14 +0530


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  • A J Vinayak
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Pensioners’ hope for better service

By www.thehindubusinessline.com
Published On :: Fri, 19 Apr 2013 10:54:10 +0530

'This is not the age for us to eat chocolates'


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  • A J Vinayak
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The efficient triplet states formation of Se-modified PDI dimers and tetramers in solvents

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27325-27331
DOI: 10.1039/D4CP00954A, Paper
Feijun Huang, Wenli Su, Yubo Yang, Hang Wang, Zhishan Bo, Pengfei Jing, Wenkai Zhang
The Se-modified PDI oligomers experience triplet states formation in the solvents, but there are differences in the efficiency of triplet state generation due to variations in molecular structure.
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Spintronic performance of bent zigzag phosphorene nanoribbons: effects of mechanical deformation and gate voltage

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27363-27370
DOI: 10.1039/D4CP03470H, Paper
Rouhollah Farghadan
This study explores how bending and gate voltage tune the spintronic properties of zigzag phosphorene nanoribbons (ZPNRs) for advanced applications.
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A time-independent, variational method for studying the photodissociation of triatomic molecules

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27519-27529
DOI: 10.1039/D4CP02771J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Marco Pezzella, Georgi Mitev, Sergei N. Yurchenko, Jonathan Tennyson, Alexander O. Mitrushchenkov
The photodissociation of molecules is becoming an increasingly important factor to consider in the evolution of exoplanets' atmospheres orbiting around UV-rich stars, as it leads to the enrichment of atmospheric complexity.
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Oxidation of fine aluminum particles: thermally induced transformations in particle shells and kinetics of oxide nucleation

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27602-27616
DOI: 10.1039/D4CP03355H, Paper
Andrey V. Korshunov
A submicron aluminum particle during oxidation is a shrinking spherical segment due to the growth of a single γ-Al2O3 nucleus.
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Comparing coupled cluster and composite quantum chemical methods for computing activation energies and reaction enthalpies of radical propagation reactions

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27536-27543
DOI: 10.1039/D4CP03676J, Paper
Timothy B. Huber, Ralph A. Wheeler
The accuracy of DLPNO-CCSD(T)/CBS and composite methods G3(MP2)-RAD and CBS-RAD is assessed against CCSD(T)/aug-cc-pVTZ for activation energies and reaction enthalpies in hydrocarbon radical addition reactions relevant to free radical polymerization.
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Near equivalence of polarizability and bond order flux metrics for describing covalent bond rearrangements

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27459-27465
DOI: 10.1039/D4CP03337J, Paper
Lukas Kim, Teresa Head-Gordon
Identification of the breaking point for the chemical bond is essential for our understanding of chemical reactivity.
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Electrochemical system of nitrogen-doped TiO2, Fe–N–C, and copper hexacyanoferrate electrodes for photo-assisted energy conversion in acidic wastewater treatment

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27498-27509
DOI: 10.1039/D4CP02063D, Paper
Bianca Tainá Ferreira, Matheus Martins, Fritz Huguenin
This study examines the electrochemical performance of nitrogen-doped TiO2, Fe–N–C, and CuHCF electrodes for energy conversion in acidic solution neutralization, capturing 62.9 kJ per mole of protons.
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Experimental and theoretical study of the Sn–O bond formation between atomic tin and molecular oxygen

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27763-27771
DOI: 10.1039/D4CP03687E, Paper
Iakov A. Medvedkov, Anatoliy A. Nikolayev, Shane J. Goettl, Zhenghai Yang, Alexander M. Mebel, Ralf I. Kaiser
In this article, we combine state-of-art electronic structure calculations and crossed beam experiments to expose the reaction dynamics of 120Sn(3Pj) + 16O2(X3Σ−g) → 120Sn16O(X1Σ+) + 16O(3P) reaction that involve extensive ISC.
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Simulated conformality of atomic layer deposition in lateral channels: the impact of the Knudsen number on the saturation profile characteristics

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP00131A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Christine Gonsalves, Jorge A. Velasco, Jihong Yim, Jänis Järvilehto, Ville Vuorinen, Riikka L. Puurunen
Systematic analysis of saturation profile characteristics allowed development of an extended slope method that relates the slope of the adsorption front to the sticking coefficient for any Knudsen number.
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Two-dimensional Janus XWZAZ' (X = S, Se, Te; A = Si, Ge; Z, Z' = N, P, As): candidates for photocatalytic water splitting and piezoelectric materials

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27314-27324
DOI: 10.1039/D4CP03503H, Paper
Zhen Gao, Hongbo Wu, Yao He, Kai Xiong
Janus two-dimensional (2D) materials exhibit strong light absorption and high solar-to-hydrogen conversion efficiency, making them promising candidates for photocatalytic water splitting applications.
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Insights of the peroxychloroformyl radical ClC(O)OO via microwave spectrum

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27669-27676
DOI: 10.1039/D4CP03506B, Paper
Ching-Hua Chang, Wen Chao, Cheng-Han Tsai, Mitchio Okumura, Frank A. F. Winiberg, Yasuki Endo
Pure rotational spectra of trans-ClC(O)O2 (left) and cis-ClC(O)O2 (right), and the potential energy curve connecting the two conformers. The energy diagram and the observed transitions for the trans-ClC(O)O2 are also shown.
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Strategy for predicting catalytic activity of catalysts with hierarchical nanostructures

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27371-27381
DOI: 10.1039/D4CP03102D, Paper
Zidi Zhu, Daoming Huan, Jingchao Yuan, Dan Zhang, Aijun Li, Jiujun Zhang
This study constructs a multiphysics model that successfully replicates experimental results, introducing an improved Thiele modulus to enhance the prediction of catalytic activity in hierarchical nanostructured SOFC electrodes.
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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, 26,27561-27566
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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Mixed quantum/classical theory for rotationally inelastic scattering of identical collision partners revised

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27567-27582
DOI: 10.1039/D4CP02806F, Paper
D. Bostan, B. Mandal, D. Babikov
When the tested system is artificially forced to follow the same collision path in indistinguishable and distinguishable treatments, all the differences between the results of the two treatments disappear.
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Unveiling the potential of aluminum-decorated 3D phosphorus graphdiyne as a catalyst for N2O reduction

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27677-27683
DOI: 10.1039/D4CP02686A, Paper
Shehzad Ahmed, Adnan Ali Khan, Danish Khan, Awais Ghani, Rashid Ahmad, Tian Xiaoqing, Imran Muhammad
This study reveals the exceptional reactivity and efficiency of 3D-Al/PGDYN catalysts for the reduction of N2O and CO with minimal energy barriers.
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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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Performance of functionalized graphene oxide with organic radical scavengers in proton exchange membranes

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27817-27828
DOI: 10.1039/D4CP03151B, Paper
Yu Hu, Jiaxing Wang, Shuai Wang, Yuan Feng
A 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.
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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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Optimization of preparation conditions and design of device configurations for Cu3AsS4 solar cells: a combined study of first-principles calculations and SCAPS-1D device simulations

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03392B, Paper
Yi Huang, Changqing Lin, Yang Xue, Bingyuan Huang, Dan Huang
Former studies have investigated the band structure and optoelectronic properties of Cu3AsS4 and suggested that it is a promising photovoltaic (PV) absorber. However, its power conversion efficiency (PCE) from experiments...
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Effects of oxide platforms on the dynamics and reduction characteristics of hydrogen spillover

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03093A, Paper
Kazuki Shun, Akihito Fujimoto, Kohsuke Mori, Hiromi Yamashita
The interparticle hydrogen spillover can be facilitated over TiO2 and WO3 as a consequence of the interfacial diffusion of H+ and e− pairs, while the e− diffusion coupled with H+ is inhibited on MgO and CeO2.
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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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A hydrogen passivation strategy for the electrocatalytic chlorine evolution reaction on metal–organic frameworks: a theoretical insight

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03153A, Paper
Jiake Fan, Lei Yang, Hui Li, Zijian Sun, Mengyun Mei, Weihua Zhu
The chlorine evolution reaction (CER) is a crucial solution for treating chlorine-containing wastewater, a type of wastewater generated during the chemical production process.
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Investigation on the combustion mechanism for NF3/H2 in DF/HF chemical lasers: a new perspective based on deep potential molecular dynamics simulations

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03014A, Paper
Yinhua Ma, Dongmei Mu, Meiheng Lv, Nan Wang, Huaxin Liu, Fangjian Shang, Jianyong Liu
Combustion-driven deuterium fluoride/hydrogen fluoride (DF/HF) lasers are a crucial type of chemical lasers.
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Ballistic transport in sub-10 nm monolayer InAs transistors for high-performance applications

By pubs.rsc.org
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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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A Comprehensive Guide for Accurate Conformational Energies of Microsolvated Li+ Clusters with Organic Carbonates

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03487B, Paper
Arseniy A. Otlyotov, Andrey Moshchenkov, Timofey P. Rozov, Anna A. Tuma, Alexander S. Ryzhako, Yury Minenkov
Organic 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...
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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
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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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Intermolecular interaction potential maps from energy decomposition for interpreting reactivity and intermolecular interactions

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03237C, Paper
Amin Kiani, Wentong Zhou, Lawrence M. Wolf
The development and application of intermolecular interaction potential maps to rationalize a range of interactions at the DFT level using suitable probes is described.
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Simulation study of the conformation and dynamics of substrate-supported ring and linear polymer films

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02794A, Paper
Jianhua Huang, Hongzhu Ji, Jin Zhang, Zhunpeng Wang
Ring polymers in substrate-supported films exhibit stronger adsorbability, less deformation, and similar dynamics suppression compared to linear polymers.
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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 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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Annealing approach to form a nanotube from graphdiyne ribbon: A theoretical prediction

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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

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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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