Results 171 to 180 of about 267,431 (292)

Determination and Validation of Standard Enthalpies of Formation and Sublimation of Potassium Salts Using Solution Calorimetry and Quantum-Chemical Calculations. [PDF]

ChemistryOpen
Amanollahi Z, Zaitsau DH, Müller K, Bokareva OS, Siewert R.   +4 more
europepmc   +1 more source

Emerging Materials and Future Strategies for Solid Oxide Electrochemical Cells

Advanced Energy Materials, EarlyView.
Solid oxide electrochemical cells operate under strongly coupled electrochemical and thermodynamic conditions, where performance is constrained by interactions among crystal structure, defect chemistry, and interfacial evolution. This review, based on a structure‐defect‐property‐durability framework, reveals the roles of lattice symmetry and defect ...
Qiuchun Lu, Yufei Zhang, Han Zhao, Pooi See Lee, Daniel H.C. Chua   +4 more
wiley   +1 more source

AI-Assisted Design of Chemically Recyclable Polymers for Food Packaging. [PDF]

Polymers (Basel)
Phan BK, Kim C, Nistane J, Xiong W, Chen H, Jang WJ, Gholami F, Su Y, Qi J, Lively R, Gutekunst W, Ramprasad R.   +11 more
europepmc   +1 more source

Lattice Coherency‐Driven (111)‐Oriented Wide Bandgap Perovskite Films

Advanced Energy Materials, EarlyView.
Methylammonium lead chloride (MAPbCl3)‐derived seed templates regulate wide‐bandgap perovskite crystallization through coupled thermodynamic and kinetic effects. Lattice‐coherent templating lowers the energy cost for (111) epilayer growth, while growth retardation controls crystallization kinetics, ultimately producing highly crystalline face‐up (111 ...
Yu‐Na Lee, Hyo Jung Kim, Ji‐Sang Park, Wolfgang Tress, Yasemin Saygili, Hui‐Seon Kim   +5 more
wiley   +1 more source

Multiscale Perspectives on Perovskite Instability: From Atomistic Deformation to Device Degradation in Perovskite Solar Cells

Advanced Energy Materials, EarlyView.
Multiscale perspectives on how excess charges in soft lead halide perovskites induce operational instability in photovoltaic devices are presented. Localized carriers formed under thermodynamic non‐equilibrium states modify atomistic interactions and drive lattice distortions, accelerating device degradation.
Joo‐Hong Lee, Donghyeon Lee, Seoyoon Lee, Jin‐Wook Lee, Mansoo Choi, Min‐cheol Kim, Namyoung Ahn   +6 more
wiley   +1 more source

Assessment of the interaction between sodium dodecyl sulfate and trypsin enzyme through micellization and thermodynamic analysis. [PDF]

RSC Adv
Hossain MAA, Akter R, Uddin MN, Joy MTR, Ahmed B, Kumar D, Goni MA, Anis-Ul-Haque KM, Hoque MA, Malik A.   +9 more
europepmc   +1 more source

From continuous to interruptible distillation: Flexible electric heating column architecture with fast start‐up

AIChE Journal, EarlyView.
Abstract Electrification of distillation offers a promising route to reducing scope‐1 emissions from one of the chemical industry's most energy‐intensive unit operations. However, conventional adiabatic columns are dynamically inflexible: Long, energy‐intensive start‐ups make shutdown and restart impractical under variable electricity prices and ...
Samuel Mercer, Michael Baldea
wiley   +1 more source

Verification of the General Applicability of a Predictive Model for the Physical Properties of Molten Salts in Heat Energy Storage Applications. [PDF]

ACS Omega
Li J, Shan J, Guo J.
europepmc   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Johari-Goldstein relaxation in quenched and irradiated chalcogenide glasses.

Newton
Baglioni J, Martinelli A, Sun P, Dallari F, Piemontese L, Umair M, Westermeier F, Sprung M, Monaco G.   +8 more
europepmc   +1 more source