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Implications of electrode modifications in aqueous organic redox flow batteries

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Journal of Energy Chemistry 2024年第8期95卷 499-510页

作者： Zahid Manzoor Bhat Mohammad Furquan muhammad Aurang Zeb Gul Sial Umair Alam Atif saeed Alzahrani Mohammad Qamar Interdisciplinary Research Center for Hydrogen Technologies and Carbon Management(IRC-HTCM) King Fahd University of Petroleum & Minerals(KFUPM) Department of Materials Science and Engineering King Fahd University of Petroleum and Minerals Interdisciplinary Research Center for Sustainable Energy Systems(IRC-SES) King Fahd University of Petroleum and Minerals

Aqueous organic redox flow batteries(RFBs) exhibit favorable characteristics, such as tunability, multielectron transfer capability, and stability of the redox active molecules utilized as anolytes and catholytes, making them very viable contenders for large-scale grid storage applications. Considerable attention has been paid on the development of efficient redox-active molecules and their performance optimization through chemical substitutions at various places on the backbone as part of the pursuit for high-performance RFBs. Despite the fact that electrodes are vital to optimal performance, they have not garnered significant attention. Limited research has been conducted on the effects of electrode modifications to improve the performance of RFBs. The primary emphasis has been given on the impact of electrode engineering to augment the efficiency of aqueous organic RFBs. An overview of electron transfer at the electrode–electrolyte interface is provided. The implications of electrode modification on the performance of redox flow batteries, with a particular focus on the anodic and cathodic half-cells separately, are then discussed. In each section, significant discrepancies surrounding the effects of electrode engineering are thoroughly examined and discussed. Finally, we have presented a comprehensive assessment along with our perspectives on the future trajectory.

关键词： Electrode modification Organic redox molecules Outer sphere and inner sphere Redox flow batteries

Electronic and thermoelectric properties of YbMg_(2)X_(2)(X=P,As,Sb,Bi)zintl compounds by first-principles method

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Journal of Rare Earths 2024年第1期42卷 147-154,I0006页

作者： Sajid Khan Dil Faraz Khan R.Neffati Tariq Usman muhammad Waqar Ahsraf Shamim Khan saeed Ullah Jan G.Murtaza Department of Physics University of Science&Technology BannuBannu28100Pakistan Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Laboratoire de Physique de La Matiere Condensee Departement de PhysiqueFaculte des Sciences de TunisUniversite Tunis El ManarCampus Universitaire1060TunisTunisia Department of Physics Shaoxing UniversityShaoxing312000China Department of Mathematics&Natural Sciences Prince Mohammad Bin Fahd UniversityAlkhobar31952Saudi Arabia Materials Modeling Lab Department of PhysicsIslamia College Peshawar25120KhyberPakhtunkhwaPakistan

In this work the structural,electronic and thermoelectric properties of YbMg_(2)X_(2)(X=P,As,Sb,Bi)zintl compounds were investigated comprehensively using first principles study.The electronic properties were studied using PBE GGA,TB-mBJ and hybrid(YS-PBE0)potentials.All the structural parameters of optimized structures are in harmonious agreement to the available data.The band structure study illustrates that the titled materials manifest metallic and semi metallic nature using PBE and TB-mBJ potentials while they show wide band gap semiconducting behavior by following hybrid(YS-PBE0)potential.Total density of states(TDOS)and partial density of states(PDOS)were also calculated to glimpse the contribution of orbitals of atoms in the formation of bands.Transport properties were studied by using BoltzTraP2 code employed to WIEN2k.We get enormous values of Seebeck coefficient(S),power factor(PF)and thermoelectric figure of merit(ZT)for all the samples YbMg_(2)X_(2)(X=P,As,Sb,Bi),Moreover,the overwhelming transport properties for the titled compounds indicate the optimum level of carriers’concentration which pinpoints these materials to be better thermoelectrics in the 1-2-2 zintl family.

关键词： Zintl compounds Hybrid functional Band structure Thermoelectrics Rare earths

Reservoir Potential Assessment of the Tortonian-Calabrian Sediments from Offshore Makran(Southwest Pakistan)through a Multidisciplinary Approach

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Acta Geologica Sinica(English Edition) 2023年第1期97卷 163-175页

作者： Natasha KHAN Awais ALI Salahudin KHURSHEED Kashif ALI muhammad saeed Department of Earth Sciences Abbottabad University of Science and TechnologyHavelian 22500Khyber PakhtunkhwaPakistan National Centre of Excellence in Geology University of PeshawarPeshawar 25130Pakistan

The Tortonian–Calabrian strata of Offshore Makran(Pakistan)is investigated for the purpose of reservoir assessment.The stratigraphy and petrophysics indicate that the Neogene sediments have tight reservoir potential with porosities in the range of 3%–9%and 40%–50%water saturation.The mineralogical cross plots indicate a mixed lithology with an abundance of dolomite and calcite,together with minor quartz content and shale.The seismic interpretation demonstrates medium–high amplitude reflection patterns,mud diapirs coupled with onlapping strata and the occurrence of bottom simulating reflectors(BSRs).The BSRs are characterized by diminished amplitude,low continuity and exhibiting acoustic blanking zones.The high formation pressure results indicate overpressure zones,suggesting the occurrence of overpressured shales in the Jal Pari-1A.The presence of mud diapirs and gas chimneys are the result of tectonic forces acting at the junction of the Arabian,Indian and Eurasian plates,whereas,BSRs prove the existence of gas charged sediments supporting the formation of mud diapirism in the region.It is concluded that the high rates of sedimentation during the Neogene are likely to have contributed to the development of the high formation pressure.Revised mud weights,casing policies,pore pressure transients and geophysical inversion studies will help alleviate drilling risks in future exploration strategies.

关键词： seismic reservoirs overpressure Neogene Makran

Recent progress in two-dimensional metallenes and their potential application as electrocatalyst

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Journal of Energy Chemistry 2024年第7期94卷 577-598页

作者： Umer Shahzad Mohsin saeed muhammad Fazle Rabbee Hadi M.Marwani Jehan Y.Al-Humaidi muhammad Altaf Raed H.Althomali Kwang-Hyun Baek Md.Rabiul Awual Mohammed M.Rahman Department of Chemistry Faculty of ScienceKing Abdulaziz UniversityJeddah 21589Saudi Arabia Department of Biotechnology Yeungnam UniversityGyeongsanSouth Korea Center of Excellence for Advanced Materials Research(CEAMR) King Abdulaziz UniversityJeddah 21589Saudi Arabia Department of Chemistry College of SciencePrincess Nourah Bint Abdulrahman UniversityP.O.BOX 84428Riyadh 11671Saudi Arabia Department of Chemistry Center of Excellence for Innovation in Chemistry(PERCH-CIC)Center of Excellence in Materials Science and TechnologyFaculty of ScienceChiang Mai UniversityChiang Mai 50200Thailand Department of Chemistry College of Art and SciencePrince Sattam Bin Abdulaziz UniversityWadi Al-Dawasir 11991Saudi Arabia Western Australian School of Mines:Minerals Energy and Chemical EngineeringCurtin UniversityGPO Box U 1987PerthWA 6845Australia

In this article,we looked at metallenes,a novel class of two-dimensional(2D)metals that are attracting interest in the energy and catalysis sectors.Catalysis is one area where their exceptional physicochemical and electrical characteristics might be useful.Metallenes are unique because they include several metal atoms that are not in a coordinated bond.This makes them more active and improves their atomic uti-lization,which in turn increases their catalytic potential.This article delves into the potential of two-dimensional metals as electrocatalysts for carbon dioxide reduction,fuel oxidation,oxygen evolution,and oxygen reduction reactions in the context of sustainable energy conversion.Owing to the exception-ally high surface-to-volume ratio,large surface area as well as their optimized atomic use efficiency,2D materials defined by atomic layers are crucial for surface-related sustainable energy applications.Due to its exceptional properties,such as high conductivity and the ability to enhance the exposure of active metal sites,2D metallenes have recently attracted a lot of interest for use in catalysis,electronics,and energy-related applications.With their highly mobility,adjustable surface states,and electrical struc-tures that can be fine-tuned,2D metallenes are promising nanostructure materials for use in energy con-version with the sustainable applications.

关键词： Metallenes Electrocatalysts Electrochemical processes Atomically thin structure

Coupling of RANS and BEM Solvers for Simulation of Propeller Behind the Hull in Full Appended Model

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China Ocean Engineering 2024年第3期38卷 424-438页

作者： saeed NAJAFI Mehdi POURMOSTAFA LIU Peng-fei Iranian National Institute for Oceanography and Atmospheric Science(INIOAS) Tehran 14155-4781Iran Department of Maritime Engineering Amir Kabir University of TechnologyTehran 15875-4413Iran Marine Offshore and Subsea TechnologySchool of EngineeringNewcastle UniversityNewcastle upon TyneNE17RUUK

To design a propeller for ship power plant,the interaction between ship hull and propeller must be taken into account.The main concern is to apply the wake effect of ship stern on the propeller performance.In this paper,a coupled BEM(Boundary Element Method)/RANS(Renolds-Averaged Navier−Stokes)solver is used to simulate propeller behind the hull in the self-propulsion test.The motivation of this work is to develop a practical tool to design marine propulsion system without suffering long computational time.An unsteady boundary element method which is also known as panel method is chosen to estimate the propeller forces.Propeller wakes are treated using a time marching wake alignment method.Also,a RANS code coupled with VoF equation is developed to consider the ship motions and wake field effects in the problem.A coupling algorithm is developed to interchange ship wake field to the potential flow solver and propeller thrust to the RANS code.Based on the difference between hull resistance and the propeller thrust,a PI controller is developed to compute the propeller RPM in every time step.Verification of the solver is carried out using the towing tank test report of a 50 m oceanography research vessel.Wake factor and trust deduction coefficient are estimated numerically.Also,the wake rollup pattern of the propeller in open water is compared with the propeller in real wake field.

关键词： RANS BEM coupled method ship propeller self-propulsion wake sheet pattern

Quantum dense coding with gravitational cat states

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Communications in Theoretical Physics 2024年第3期76卷 84-90页

作者： saeed Haddadi Mehrdad Ghominejad Artur Czerwinski Faculty of Physics Semnan UniversityP.O.Box 35195-363SemnanIran Centre for Quantum Optical Technologies Centre of New TechnologiesUniversity of WarsawBanacha 2c02-097 WarszawaPoland

A protocol of quantum dense coding with gravitational cat states is proposed.We explore the effects of temperature and system parameters on dense coding capacity and provide an efficient strategy to preserve the quantum advantage of dense coding for these states.Our results may open new opportunities for secure communication and insights into the fundamental nature of gravity in the context of quantum information processing.

关键词： quantum dense coding gravitational cat states quantum advantage

Research funding and citations in papers of Nobel Laureates in Physics, Chemistry and Medicine, 2019-2020

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Journal of Data and Information Science 2024年第2期9卷 56-80页

作者： Mario Coccia saeed Roshani CNR-National Research Council of Italy IRCRES-CNRTurin Research Area of the CNRStrada delle Cacce73-10135-TurinItaly Arizona State University School of Complex Adaptive Systems1031 S.Palm WalkTempeAZ 85281-2701USA Allameh Tabataba’i University Department of Technology and Entrepreneurship ManagementDehkadeh-ye-OTehran***Iran

Purpose:The goal of this study is a comparative analysis of the relation between funding(a main driver for scientific research)and citations in papers of Nobel Laureates in physics,chemistry and medicine over 2019-2020 and the same relation in these research fields as a whole.Design/methodology/approach:This study utilizes a power law model to explore the relationship between research funding and citations of related papers.The study here analyzes 3,539 recorded documents by Nobel Laureates in physics,chemistry and medicine and a broader dataset of 183,016 documents related to the fields of physics,medicine,and chemistry recorded in the Web of Science database.Findings:Results reveal that in chemistry and medicine,funded researches published in papers of Nobel Laureates have higher citations than unfunded studies published in articles;vice versa high citations of Nobel Laureates in physics are for unfunded studies published in papers.Instead,when overall data of publications and citations in physics,chemistry and medicine are analyzed,all papers based on funded researches show higher citations than unfunded ones.Originality/value:Results clarify the driving role of research funding for science diffusion that are systematized in general properties:a)articles concerning funded researches receive more citations than(un)funded studies published in papers of physics,chemistry and medicine sciences,generating a high Matthew effect(a higher growth of citations with the increase in the number of papers);b)research funding increases the citations of articles in fields oriented to applied research(e.g.,chemistry and medicine)more than fields oriented towards basic research(e.g.,physics).Practical implications:The results here explain some characteristics of scientific development and diffusion,highlighting the critical role of research funding in fostering citations and the expansion of scientific knowledge.This finding can support decision-making of policymakers and R&D managers to improve the effectiveness in allocating

关键词： Research funding Citations Science diffusion Scientific change Science of Science Power-law distribution Basic research Applied research Matthew effect Nobel Laureates Nobel Prizes

Numerical investigation of supercontinuum generation and optical frequency combs in Si N-based PCF with high nonlinear coefficient

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Optoelectronics Letters 2024年第3期20卷 163-170页

作者： Mohammad Reza Alizadeh Mahmood Seifouri saeed Olyaee Faculty of Electrical Engineering Shahid Rajaee Teacher Training UniversityTehranIran Nano-photonics and Optoelectronics Research Laboratory(NORLab) Shahid Rajaee Teacher Training UniversityTehranIran

In this paper, a photonic crystal fiber(PCF) with a dispersion-engineered and high nonlinear coefficient has been designed for supercontinuum generation(SCG) and frequency comb generation(FCG). The proposed PCF has a Si_(3)N_(4) rod in the core. This rod provides more optical confinement in the core by increasing the refractive index of the core. This high confinement reduces the effective mode area of PCF and thus increases the nonlinear coefficient.

关键词： optical fiber nonlinear

Transient receptor potential channels and calcium dysregulation: a pathogenic duo in Parkinson's disease

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Neural Regeneration Research 2025年第3期20卷 808-810页

作者： Iqira saeed Linlin Ma Griffith Institute for Drug Discovery Griffith UniversityNathanBrisbaneQLDAustralia School of Environment and Science Griffith University NathanBrisbaneQLDAustralia

Parkinson's disease(PD) has a complex and multifactorial pathophysiology. Various studies, conducted both in pre-clinical models and PD patients, have reported a link between the disruption of calcium(Ca^(2+)) homeostasis and the subsequent development of PD. Ca^(2+) regulation is crucial for neuronal survival, differentiation,exocytosis at synapses,gene transcription,and proliferation.

关键词： homeostasis clinical subsequent