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Kinetic insights into structure sensitivity of Ru catalyzed L-alanine hydrogenation to alaninol

By pubs.rsc.org
Published On ::

React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00420E, Paper
Rui Song, Chang Yao, Wenhua Li, Nihong An, Yafeng Shen, Nina Fei, Xiaohu Ge, Yueqiang Cao, Xuezhi Duan, Xinggui Zhou
Ru(101) sites are identified as the dominant active sites for the hydrogenation of L-alanine to alaninol.
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Design and performance evaluation of low-volatility and low-viscosity absorbents for CO2 capture

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React. Chem. Eng., 2024, Advance Article
DOI: 10.1039/D4RE00379A, Paper
Ning Ma, Liu Yang, Zhenchang Fang, Kaijia Jiang, Xinling Li, Zhen Huang
This study synthesized a novel homogeneous non-aqueous absorbent and analyzed hydrogen bonds and viscosities, which were rarely studied before.
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Analysis of the adhesive secreting cells of Arion subfuscus: insights into the role of microgels in a tough, fast-setting hydrogel glue

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00071D, Paper
Andrew M. Smith, Patrick Flammang
A model for the rapid setting of a gastropod hydrogel adhesive. Cross-linked microgels mix with microscopic packets of polysaccharides; these flow onto surfaces until the packets rupture, joining the microgels together.
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A Passive Star Polymer in a Dense Active Bath: Insights from Computer Simulations

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Soft Matter, 2024, Accepted Manuscript
DOI: 10.1039/D4SM00144C, Paper
Ramanand Singh Yadav, Sanaa Sharma, Ralf Metzler, Rajarshi Chakrabarti
Using computer simulations in two dimensions (2D), we explore the structure and dynamics of a star polymer with three arms made of passive monomers immersed in a bath of active...
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Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00216D, Paper
Yuting Wan, Yuening Qiu, Jin Zhou, Jinbo Liu, Martien A. Cohen Stuart, Yangfeng Peng, Junyou Wang
Stable and permeable polyion complex vesicles designed as enzymatic nanoreactors.
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Multiple physical crosslinked highly adhesive and conductive hydrogels for human motion and electrophysiological signal monitoring

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D4SM00195H, Paper
Qirui Wu, Anbang Chen, Yidan Xu, Songjiu Han, Jiayu Zhang, Yujia Chen, Jianren Hang, Xiaoxiang Yang, Lunhui Guan
Ionic conducting hydrogel (ICHgel) was synthesized by doping fumed SiO2, which exhibited superior stretchability, conductivity, and adhesiveness, making it a promising bridge for effective communication between electronic devices and human tissues.
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In silico design of misfolding resistant proteins: the role of structural similarity of a competing conformational ensemble in the optimization of frustration

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Soft Matter, 2024, 20,3283-3298
DOI: 10.1039/D4SM00171K, Paper
Bondeepa Saikia, Anupaul Baruah
The degree of similarity of the non-native conformations to the target plays a prominent role in designing misfolding resistant protein sequences.
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Pure elongation flow of an electrorheological fluid: insights on wall slip from electrorheology

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Soft Matter, 2024, 20,3313-3321
DOI: 10.1039/D3SM01448G, Paper
Ishu Chaudhary, Manish Kaushal
We study the pure elongation flow behavior of an electrorheological fluid as a model soft-jammed system, wherein the extent of jamming is controlled by an externally applied electric-field. Additionally, this study offers general insight into how jamming affects slip dynamics.
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Interfacial energy as an approach to designing amphipathic surfaces during photopolymerization curing

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Soft Matter, 2024, Advance Article
DOI: 10.1039/D3SM01528A, Paper
Open Access
Sabrina J. Curley, Caroline R. Szczepanski
Photopolymerization induced phase separation (PIPS) is utilized to develop materials in a single step that are hydrophobic on one face and hydrophilic on the other.
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Investigating Fe-doped Ba0.67Ni0.33Mn1−xFexO3 (x = 0, 0.2) ceramics: insights into electrical and dielectric behaviors

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RSC Adv., 2024, 14,12561-12573
DOI: 10.1039/D4RA01581A, Paper
Open Access
Faouzia Tayari, Kais Iben Nassar, Saja Algessair, Mokhtar Hjiri, Majdi Benamara
This study investigates the characteristics of Ba0.67Ni0.33Mn1–xFexO3 perovskite under varying Fe doping levels at the Mn-site (x = 0, 0.2). X-ray diffraction confirm the material's consistent structure, with Fe3+ ions substituting Mn3+ ions while maintaining identical ionic radius.
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Significantly enhanced catalytic performance of Pd nanocatalyst on AlOOH featuring abundant solid surface frustrated Lewis pair for improved hydrogen activation

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RSC Adv., 2024, 14,12593-12599
DOI: 10.1039/D4RA01852D, Paper
Open Access
Junwei Li, Hongshuai Yin, Sisi Liu, Chaofa Xu, Zhixiong Cai
The superior catalytic performance of Pd nanocatalysts in AlOOH-80 is attributed to solid surface frustrated Lewis pairs (ssFLP), which enhance hydrogen gas dissociation, improve Pd nanocatalyst hydrogenation, and result in high catalytic activity of Pd/AlOOH-80.
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Insights into the optoelectronic behaviour of heteroatom doped diamond-shaped graphene quantum dots

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RSC Adv., 2024, 14,12639-12649
DOI: 10.1039/D4RA00603H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Yassine El Haddad, Hala Ouarrad, Lalla Btissam Drissi
Investigation of heteroatom (N, B, O, P and S) doping impact on the structural, optoelectronic and photoluminescence properties of diamond-shaped graphene quantum dots for photovoltaics and nanomedical applications, and energy technologies.
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Insight into the probability of ethoxy(pentafluoro)cyclotriphosphazene (PFPN) as the functional electrolyte additive in lithium–sulfur batteries

By pubs.rsc.org
Published On ::

RSC Adv., 2024, 14,12754-12761
DOI: 10.1039/D3RA08379A, Paper
Open Access
Ning Li, Yu Zhang, Shun Zhang, Lu Shi, Jie-Yu Zhang, Ke-Meng Song, Jin-Chun Li, Fang-Lei Zeng
Enhancing the flame retardancy of electrolytes and the stability of lithium anodes is of great significance to improve the safety performance of lithium–sulfur (Li–S) batteries.
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Design, synthesis and antiproliferative evaluation of tetrahydro-β-carboline histone deacetylase inhibitors bearing an aliphatic chain linker

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RSC Adv., 2024, 14,12762-12771
DOI: 10.1039/D4RA01672F, Paper
Open Access
Jing Shi, Jiayun Wang, Xingjie Wang, Chao Qu, Changchun Ye, Xiuli Li, Xin Chen, Zhengshui Xu
The use of histone deacetylase inhibitors (HDACis) is an effective approach for cancer treatment.
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Rational design of a lysosome-targeted fluorescent probe for monitoring the generation of hydroxyl radicals in ferroptosis pathways

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RSC Adv., 2024, 14,12864-12872
DOI: 10.1039/D4RA00562G, Paper
Open Access
Lili Zhong, Datian Fu, Jin Xu, Linyan Tan, Haimei Wu, Min Wang
A novel hydrocyanine-based turn-on fluorescence probe HCy-Lyso, with excellent lysosome-targeting ability and ˙OH-responsive efficiency, has been applied for monitoring the variation in lysosomal ˙OH levels during ferroptosis.
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Mechanics of biomimetic free-standing lipid membranes: insights into the elasticity of complex lipid compositions

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RSC Adv., 2024, 14,13044-13052
DOI: 10.1039/D4RA00738G, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Alessandra Griffo, Carola Sparn, Fabio Lolicato, Friederike Nolle, Navid Khangholi, Ralf Seemann, Jean-Baptiste Fleury, Martin Brinkmann, Walter Nickel, Hendrik Hähl
In this study, we prepare pore-spanning membranes that mimic the composition of plasma membranes and perform force spectroscopy indentation measurements to unravel mechanistic insights depending on lipid composition.
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Designing biphenanthridine-based singlet fission materials using computational chemistry

By pubs.rsc.org
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Mol. Syst. Des. Eng., 2024, 9,423-435
DOI: 10.1039/D3ME00181D, Paper
Keighlynn A. Veilleux, Georg Schreckenbach, David E. Herbert
A systematic search for novel singlet fission materials based on the recently synthesized 6,6'-biphenanthridine (biphe) framework is reported, utilizing a straightforward computational approach.
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3-Perfluoroalkylated fluorescent coumarin dyes: rational molecular design and photophysical properties

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Mol. Syst. Des. Eng., 2024, 9,332-344
DOI: 10.1039/D4ME00006D, Paper
Ayano Ikemura, Yukiko Karuo, Yuki Uehashi, Tomohiro Agou, Masahiro Ebihara, Yasuhiro Kubota, Toshiyasu Inuzuka, Masaaki Omote, Kazumasa Funabiki
The photochemical properties of a coumarin derivative with a promising electron-withdrawing fluoroalkyl group at the 3-position in solution and in the crystal were investigated in detail.
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Effect of computationally designed fragment-based analogs on the RBD–ACE2 complex of the SARS-CoV-2 P.1 variant

By pubs.rsc.org
Published On ::

Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00193H, Paper
Surabhi Lata, Mohd. Akif
Modulation of the RBD–ACE2 complex formation and perturbation in their interface by the designed analogs.
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A molecular-design approach for selective sulfate separation from competitive acidic and alkaline aqueous media

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Published On ::

Mol. Syst. Des. Eng., 2024, Accepted Manuscript
DOI: 10.1039/D4ME00031E, Review Article
Arghya Basu, Sandeep Kumar Dey
Selective and efficient removal of sulfate from aqueous solution having a high concentration of other competing ions is an important aspect of separation science technology and has attracted considerable attention...
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Design and engineering of an artificial disulfide bond in human cytochrome c to regulate the protein structure and function

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Mol. Syst. Des. Eng., 2024, Advance Article
DOI: 10.1039/D3ME00196B, Paper
Yan-Yan Li, Yu Feng, Lu Yu, Shuang-Shuang Long, Shu-Qin Gao, Ying-Wu Lin
An artificial disulfide bond was rationally constructed in human cytochrome c (hCyt c) via double mutations (A51C/G77C), which weakened the coordination of Met80 to the heme iron and enhanced the peroxidase activity of hCyt c.
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Materials designed to degrade: structure, properties, processing, and performance relationships in polyhydroxyalkanoate biopolymers

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00623B, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Jessica N. Lalonde, Ghanshyam Pilania, Babetta L. Marrone
A materials tetrahedron framework is applied to PHA biopolymers to highlight design challenges and frame potential future research exploring structure, property, processing, and performance relationships.
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Scalable design of uniform oligourethanes for impact study of chain length, sequence and end groups on thermal properties

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Polym. Chem., 2024, 15,4319-4326
DOI: 10.1039/D4PY01001A, Paper
Open Access
Jens Van Hoorde, Nezha Badi, Filip E. Du Prez
A bidirectional growth-based protocol is used for the synthesis of a series of sequence-defined oligourethanes in large scale (50 g). The effect of chain length, sequence and end group functionalities on the thermal properties is evaluated.
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Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes

By pubs.rsc.org
Published On ::

Polym. Chem., 2024, Advance Article
DOI: 10.1039/D4PY00722K, Paper
Yong-Qing Li, Gui-Ping Cao, Yu-Cai Cao
From a practical perspective, it is important to maintain or increase the mechanical properties of functional ethylene copolymers to those of nonpolar polyethylene (PE).
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Interpretable machining learning assisted insights into bifunctional squaramide catalyzed ring-opening polymerization of lactide

By pubs.rsc.org
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Polym. Chem., 2024, 15,4562-4569
DOI: 10.1039/D4PY00866A, Paper
Shaoju Cao, Mengting Hong, Junyuan Hu, Zhenjiang Li, Jin Huang, Kai Guo
A bifunctional squaramide catalyst with tunable activity enables the controlled ring-opening polymerization of lactide. Combining bench experiments and interpretable machine learning offer insights into catalyst structures, promoting catalyst design.
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Sulfur–tetrazine as highly efficient visible-light activatable photo-trigger for designing photoactivatable fluorescence biomolecules

By pubs.rsc.org
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J. Mater. Chem. B, 2024, 12,10839-10849
DOI: 10.1039/D4TB01817F, Communication
Shudan Yang, Mengxi Zhang, Axel Loredo, David Soares, Yulun Wu, Han Xiao
Light-activated fluorescence represents a potent tool for investigating subcellular structures and dynamics, offering enhanced control over the temporal and spatial aspects of the fluorescence signal.
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Mitigating intubation stress, mucosa injury, and inflammatory response in nasogastric tube intubation via suppression of the NF-κB signaling pathway by engineering a hydration lubrication coating

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Advance Article
DOI: 10.1039/D4TB01171F, Paper
Xi Liao, Meng-Han Bai, Yu-Wei Liu, Yu-Qing Wei, Jun-Yang Wang, Zhi-Guo Wang, Rui Hong, Ju-Xiang Gou, Jia-Zhuang Xu, Zhong-Ming Li, Ka Li
The hydrated micelle coating, composed of hyaluronic acid and Pluronic, demonstrated superior hydrophilicity and aqueous lubricity to effectively alleviate mucosal lesions and inflammation caused by NGT insertion.
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Research Progress of Nitroxide Radical-Based MRI Contrast Agents: From Structure Design to Application

By pubs.rsc.org
Published On ::

J. Mater. Chem. B, 2024, Accepted Manuscript
DOI: 10.1039/D4TB02272F, Review Article
Tao Luo, Bo Wang, Runxin Chen, Qi Qi, Ruodai Wu, Shunzi Xie, Hanbing Chen, Jialei Han, Dalin Wu, Shuaishuai Cao
Magnetic resonance imaging (MRI) remains a cornerstone of diagnostic imaging, offering unparalleled insights into anatomical structures and pathological conditions. Gadolinium-based contrast agents have long been the standard in MRI enhancement,...
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Weaving Connections: British designer William Morris’s colonial inspirations

By www.thehindubusinessline.com
Published On :: Wed, 11 Aug 2021 12:52:20 +0530

The handcrafted colourful textiles of South Asia appealed immensely to the celebrated 19th-century craftsperson and polymath. A new exhibition of his works highlights these influences


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Designs on the future — patterning a new India

By www.thehindubusinessline.com
Published On :: Sun, 15 Aug 2021 07:19:50 +0530

On India’s 75th Independence Day, can cultivating a design-backed ecosystem put the country on a steep growth path?


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Towards the rational design of N-(1,3-dimethylbutyl)-N'-phenyl-1,4-benzenediamine (6PPD) electrochemical sensor

By pubs.rsc.org
Published On ::

Analyst, 2024, 149,5165-5173
DOI: 10.1039/D4AN00973H, Paper
Emily Dominique, Christophe Renault
The strong adsorption of 6PPD onto glassy carbon and its reversible two electron oxidation enables simple and sensitive electrochemical detection with an LOD of 10 nM.
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Designing a novel paper-based microfluidic disc for rapid and simultaneous determination of multiple nutrient salts in water

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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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Structural and sorption characteristics of an aerogel composite material loaded with flufenamic acid: insights from MAS NMR and high-pressure NOESY studies

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27301-27313
DOI: 10.1039/D4CP03217A, Paper
Valentina V. Sobornova, Valeriya V. Mulloyarova, Konstantin V. Belov, Alexey A. Dyshin, Peter M. Tolstoy, Mikhail G. Kiselev, Ilya A. Khodov
The structural and sorption characteristics of a composite material consisting of a silica aerogel loaded with flufenamic acid were investigated using a variety of nuclear magnetic resonance techniques.
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Theoretical insight into photodeactivation mechanisms of adenine–uracil and adenine–thymine nucleobase pairs

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27807-27816
DOI: 10.1039/D4CP02817A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Kinga Szkaradek, Robert W. Góra
Ab initio calculations elucidate plausible intramolecular photoinduced relaxation pathways involving ring puckering and an efficient intersystem crossing in A–U and A–T base pairs, potentially hindering electron-driven proton transfer detection.
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Insights of the peroxychloroformyl radical ClC(O)OO via microwave spectrum

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Published On ::

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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Structural insights into carboxylic-acid based DES across H-bond donor ratios: impact of CL&Pol refinement

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Published On ::

Phys. Chem. Chem. Phys., 2024, 26,27486-27497
DOI: 10.1039/D4CP03233K, Paper
Jon Zubeltzu, Elixabete Rezabal
Improved force field parameters refine H-bond network and long-range structure in carboxylic-acid-based deep eutectic solvents.
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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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Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization

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Published On ::

Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02296C, Paper
Open Access
Matteo Palluzzi, Giorgia Mannucci, Akiko Tsurumaki, Matteo Busato, Maria Assunta Navarra, Paola D’Angelo
An anion–anion attraction was inferred from the thermal behavior of oxalate-borate ionic liquids and confirmed through computational methods.
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Mechanistic Insights into CO2 Activation on Pristine, Vacancy-containing and Doped Goldene: A Single-Atom Layer of Gold

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03087G, Paper
Kamal Kumar, Nora Henriette De Leeuw, Jost Adam, Abhishek Kumar Mishra
Goldene, a one-atom-thick gold sheet, is an emerging graphene-like flat 2-dimensional material. In this study, the geometrical and electronic properties, as well as CO2 adsorption characteristics, of the pristine,...
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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
Published On ::

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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Self-Healing in Dielectric Capacitors: a Universal Method to Computationally Rate Newly Introduced Energy Storage Designs

By pubs.rsc.org
Published On ::

Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03988B, Paper
Nadezhda Andreeva, Vitaly V. Chaban
Metalized-film dielectric capacitors provide lump portions of energy on demand. While the capacities of various capacitor designs are comparable in magnitude, their stabilities make a difference. Dielectric breakdowns – micro-discharges...
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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
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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03677H, Paper
Francielle 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...
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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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Structure and dynamics of aqueous VOSO4 solutions in conventional flow through cell design: a molecular dynamics simulation study

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02934H, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Anwesa Karmakar
A theoretical model has been proposed to study the structure and dynamics of aqueous vanadyl sulfate (VOSO4) solution used in the conventional flow (CF) through cell design operating under varying thermodynamic conditions.
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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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3 Essential Design Trends, October 2024

By webdesignerdepot.com
Published On :: Mon, 23 Sep 2024 05:30:00 +0000

You have to get creative when you lack a strong visual. This month's design trends roundup focuses on this concept.


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