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Diffracting molecular matter-waves at deep-ultraviolet standing-light waves

By pubs.rsc.org
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Phys. Chem. Chem. Phys., 2024, 26,27617-27623
DOI: 10.1039/D4CP03059A, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ksenija Simonović, Richard Ferstl, Alfredo Di Silvestro, Marcel Mayor, Lukas Martinetz, Klaus Hornberger, Benjamin A. Stickler, Christian Brand, Markus Arndt
We demonstrate an optical 266 nm beamsplitter for molecular matter-waves, observing effects of optical molecular properties in the gas phase such as absorption cross section and polarisability.
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Simulated conformality of atomic layer deposition in lateral channels: the impact of the Knudsen number on the saturation profile characteristics

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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
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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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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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Mixed quantum/classical theory for rotationally inelastic scattering of identical collision partners revised

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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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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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Experimental and simulation study of reverse micelles formed by aerosol-OT and water in non-polar solvents

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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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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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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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Insight into physico-chemical properties of oxalatoborate-based ionic liquids through combined experimental-theoretical characterization

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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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Unveiling distinct bonding patterns in noble gas hydrides via interference energy analysis

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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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Effects of oxide platforms on the dynamics and reduction characteristics of hydrogen spillover

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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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Effects of surface oxygen vacancy on CO2 adsorption and its activation towards C2H4 using metal (Cu, Pd, CuPd) cluster-loaded TiO2 catalysts: A first principles study

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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03507K, Paper
Sajjad Hussain, Lina Zhang, Zhengzheng Xie, Jianjun Yang, Qiuye Li
The conversion of the highly selective CO2 reduction reaction (CO2RR) into desired value-added multicarbon compounds, like C2H4, is crucial, but it is mainly constrained by high energy barrier for C-C...
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Density scaling and isodynes in glycerol-water mixtures

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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP02231A, Paper
David B. Noirat, Bernhard Frick, Bo Jakobsen, Markus Appel, Kristine Niss
This paper presents dielectric and neutron spectroscopy data on two different glycerol-water mixtures at elevated pressures. Glycerol-water liquid mixtures have a high concentration of hydrogen bonds which usually is expected...
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Synthesis and modification of boron nitride nanomaterials for gas sensors: from theory to application

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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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Water adsorption at the (010) and (101) surfaces of CuWO4

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP02699C, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Xuan Chu, David Santos-Carballal, Nora H. de Leeuw
The copper tungstate CuWO4 surfaces tend to remain either dry or fully hydrated, depending on specific environmental conditions.
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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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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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Photofragmentation and fragment analysis; Coriolis interactions in excited states of CH3

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Phys. Chem. Chem. Phys., 2024, Advance Article
DOI: 10.1039/D4CP03292F, Paper
Meng-Xu Jiang, Ágúst Kvaran
Formation, energetics and fragmentations relevant to the methyl radical, with main emphasis on dramatic effects of Coriolis interaction within its excited states.
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A Comprehensive Guide for Accurate Conformational Energies of Microsolvated Li+ Clusters with Organic Carbonates

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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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Intermolecular Hydrogen Bonding Delineates Stability of Non-canonical Adenine Base Pairs: A First-Principles Study

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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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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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Correlating Negative Thermal Expansion and Thermal Conductivity in Two-dimensional Carbon-based Materials

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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03776F, Paper
Soumya Mondal, Ayan Datta
Negative thermal expansion (NTE) is a fascinating phenomenon where certain materials contract upon heating. The phonon transport properties of two-dimensional carbon-based allotropes are poorly understood in terms of their NTE...
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Band alignment in CdS-α-Te van der Waals heterostructures for photocatalytic applications: Influence of biaxial strain and electric field

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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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Magnetic field enhanced discharge and water activation of atmospheric pressure plasma jet: effect of assistance region and underlying physico-chemical mechanism

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Phys. Chem. Chem. Phys., 2024, Accepted Manuscript
DOI: 10.1039/D4CP03938F, Paper
Xiongfeng Zhou, Bin Chen, Hua Liao, Kun Liu
Magnetic field-assistance holds the promise of becoming a new or complementary approach to enhance the efficiency of atmospheric pressure plasma jet (APPJ), but there is currently a lack of research...
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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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Planning to order bakshanams for Deepavali? Chennai’s caterers have you covered

By www.thehindu.com
Published On :: Fri, 25 Oct 2024 14:56:39 +0530

This Deepavali, Chennai’s caterers are turning wedding halls into massive festival kitchens, complete with free snacks and courier collection centres. We drop in for adirasam and details


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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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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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Trapping the swirling waters

By www.thehindubusinessline.com
Published On :: Fri, 28 Jun 2013 15:41:55 +0530


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Of brothers and sisters

By www.thehindubusinessline.com
Published On :: Wed, 21 Aug 2013 13:28:09 +0530


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‘The Outer Ring Road will be the game changer’

By www.thehindu.com
Published On :: Fri, 03 Oct 2014 20:12:38 +0530

W. S. Habib, secretary, CREDAI Chennai, and managing director, RWD, talks to Vishal Menon about the factors affecting the city’s realty market in the near future


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Water concerns and inheritance

By www.thehindu.com
Published On :: Fri, 21 Nov 2014 15:36:53 +0530

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


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It’s fixed: floating rate is the better option

By www.thehindu.com
Published On :: Fri, 19 Dec 2014 20:07:20 +0530

Study the pros and cons well before choosing your home loan. By Balaji Rao


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Entering into a joint venture

By www.thehindu.com
Published On :: Fri, 26 Dec 2014 15:41:49 +0530


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

By pubs.rsc.org
Published On ::

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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Organohypervalent heterocycles

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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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Correlating concerted cations with oxygen redox in rechargeable batteries

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Chem. Soc. Rev., 2024, 53,3561-3578
DOI: 10.1039/D3CS00550J, Review Article
Shiqi Wang, Lifan Wang, David Sandoval, Tongchao Liu, Chun Zhan, Khalil Amine
This review underscores the critical importance of oxygen redox and elucidates the precise commonalities of cations in regulating oxygen redox.
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Emerging polymeric materials for treatment of oral diseases: design strategy towards a unique oral environment

By pubs.rsc.org
Published On ::

Chem. Soc. Rev., 2024, 53,3273-3301
DOI: 10.1039/D3CS01039B, Review Article
Open Access
Bo Jia, Beibei Zhang, Jianhua Li, Jinlong Qin, Yisheng Huang, Mingshu Huang, Yue Ming, Jingjing Jiang, Ran Chen, Yufen Xiao, Jianzhong Du
We highlight the recent progress and design strategies of polymeric materials with tailored functions to overcome the highly movable and wet, microbial and inflammatory environment in the oral cavity for treatment of oral diseases.
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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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Zn-based batteries for sustainable energy storage: strategies and mechanisms

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00295K, Review Article
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Lei Tang, Haojia Peng, Jiarui Kang, Han Chen, Mingyue Zhang, Yan Liu, Dong Ha Kim, Yijiang Liu, Zhiqun Lin
This review systematically summarizes various redox mechanisms in Zn-based batteries and design strategies to improve their electrochemical performance, which provides a reference for future development of high-performance Zn-based batteries.
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Theoretical and computational methods for tip- and surface-enhanced Raman scattering

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS01070H, Review Article
Sai Duan, Guangjun Tian, Yi Luo
The effective field Hamiltonian can rigorously treat the quantum interactions between all components of localized optical fields and molecules, which predicts the breakdown of diverse selection rules and extends the application of optical techniques.
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Advanced cathodes for aqueous Zn batteries beyond Zn2+ intercalation

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00771E, Tutorial Review
Junnan Hao, Shaojian Zhang, Han Wu, Libei Yuan, Kenneth Davey, Shi-Zhang Qiao
This Review outlines advancements in cathodes beyond Zn2+ intercalation for aqueous Zn batteries, assesses the challenges in transitioning from laboratory research to industrial application, and identifies promising candidates for practical use.
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The circular economy of water across the six continents

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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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Bridging the gap between academic research and industrial development in advanced all-solid-state lithium–sulfur batteries

By pubs.rsc.org
Published On ::

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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Gel polymer electrolytes for rechargeable batteries toward wide-temperature applications

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Chem. Soc. Rev., 2024, Advance Article
DOI: 10.1039/D3CS00551H, Review Article
Open Access
Xiaoyan Zhou, Yifang Zhou, Le Yu, Luhe Qi, Kyeong-Seok Oh, Pei Hu, Sang-Young Lee, Chaoji Chen
Design principles, engineering strategies, challenges, and opportunities of gel polymer electrolytes for rechargeable batteries toward wide-temperature applications are thoroughly reviewed.
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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

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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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