Results 181 to 190 of about 98,861 (281)

A Novel Method for the Synthesis of Tin(II) Sulphide Using Tin(II) Sulphate Precursor via H₂-Mediated Ultrasonic Spray Pyrolysis. [PDF]

Materials (Basel)
Chung H, Stopic S, Friedrich B.
europepmc   +1 more source

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice

Small Methods, EarlyView.
Computational modeling is widely used to investigate electrocatalytic reactions, yet accurately describing electrochemical interfaces remains challenging. This review outlines theoretical and computational strategies, based on density functional theory, to model reaction thermodynamics, solvation effects, applied bias, and kinetics.
Michele Re Fiorentin, Michele G. Bianchi, Magnus A. H. Christiansen, Anna Ciotti, Francesca Risplendi, Wei Wang, Elvar Ö. Jónsson, Hannes Jónsson, Giancarlo Cicero   +8 more
wiley   +1 more source

Tuning dopant incorporation in tin oxide thin films using a methanol-water solvent for photovoltaic and water splitting applications. [PDF]

RSC Adv
Zahra M, Hussain S, Shehzad K, Jamal A, Yaqub K, Rehan M, Anjum MAR, Ambreen J, Saifullah M.   +8 more
europepmc   +1 more source

Using Thermodynamics and Microstructure to Mitigate Overfitting in Pellet Reduction Models

steel research international, EarlyView.
A in time and space discretized, thermodynamically sound model for direct reduction of iron oxide pellets is described. The number of fitting parameters is drastically reduced compared to existing models. Nevertheless, fitting kinetic parameters based on conversion degree data alone leads to overfitting, which can be mitigated by correlating the ...
Ömer K. Büyükuslu, Fabrice Yang, Dierk Raabe, Moritz to Baben, Anna L. Ravensburg   +4 more
wiley   +1 more source

Revisiting H‑Bond <i>v</i>. PT: The Role of Precursor and Successor Complexes in Intermolecular, Stepwise Proton-Coupled Electron Transfer. [PDF]

ACS Omega
Williams N, Parnaik T, Dutta S, Bergen J, Cattaneo M, Parada GA.   +5 more
europepmc   +1 more source

Effect of Intrinsic Carbon in Hot Briquetted Iron on Melting and Refining Efficiency under Electric Arc Furnace Conditions for Sustainable Steelmaking with Active Use of H2‐Reduced Iron

steel research international, EarlyView.
The melting behavior of hot briquetted iron (HBI) is observed and compared with FactSage computing simulation. When using HBI in an electric arc furnace process, a proper design of intrinsic carbon content in HBI, charging ratio of HBI, and addition of lime are proposed to be essential to control the slag volume, maintain slag basicity, and mitigate ...
Min Joo Lee, Joo Hyun Park
wiley   +1 more source

Application of concentrated solar energy in postprocessing of selective laser melted Ti6Al4V alloy through simultaneously gas nitriding and heat treatment. [PDF]

Sci Rep
Chicos LA, Rodríguez J, Cañadas I, Galindo J, Cempura G, Kruk A, Ziętara M, Gruszczyński A, Pop MA, Zaharia SM, Lancea C.   +10 more
europepmc   +1 more source

Influence of Competitive C–P Segregation on Austenite Grain Growth in Iron Alloys

steel research international, EarlyView.
This study investigates how carbon influences phosphorus‐induced solute drag effects during isothermal annealing of austenite grain growth in Fe–C–P alloys. Using in situ high‐temperature laser scanning confocal microscopy and density functional theory simulations, it demonstrates that carbon above a critical temperature significantly reduces P ...
Maximilian Kern, Michael Bernhard, Daniel Scheiber, Matthias Militzer, Christian Bernhard   +4 more
wiley   +1 more source

Spin transition in magnesiowüstite and ultralow thermal conduction in ultralow velocity zones. [PDF]

Nat Commun
Hsieh WP, Deschamps F, Tsao YC, Pease A, Dorfman SM, Bausch HJ, Wang F.   +6 more
europepmc   +1 more source

Comparison of Intergranular Corrosion Resistance and Hardness between Nitrogen and Carbon Martensites in Stainless Steels

steel research international, EarlyView.
By applying solution heat treatment after plasma nitriding, followed by requenching and tempering, researchers successfully obtained nitrogen‐rich martensite on AISI 409. This study compares the intergranular corrosion resistance and hardness of nitrogen‐rich martensite in AISI 409 with carbon‐rich martensite in AISI 420.
Pedro Victorio Caetano Abrantes Quadros, Elisiane Maria Berton, Paulo César Borges   +2 more
wiley   +1 more source