Results 61 to 70 of about 6,011,616 (292)

Reliable phase stability analysis for excess Gibbs energy models [PDF]

Chemical Engineering Science, 2000
Because models used to represent the Gibbs energy of mixing are typically highly nonlinear, the reliable prediction of phase stability from such models is a challenging computational problem. The phase stability problem can be formulated either as a minimization problem or as an equivalent nonlinear equation solving problem.
Stephen R Tessier, Joan F Brennecke, Mark A Stadtherr   +2 more
openaire   +1 more source

Organic Materials of Tomorrow: Horizons of Artificial Intelligence

Advanced Materials, EarlyView.
This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena, J. Terence Blaskovits, Kun‐Han Lin, Denis Andrienko   +3 more
wiley   +1 more source

Excess molar volumes, viscosity, refractive index, and Gibbs energy of activation of binary biodiesel plus benzene, and biodiesel plus toluene mixtures at 298.15 and 303.15 K [PDF]

, 2008
Excess molar volumes (VE ), viscosities, refractive index, and Gibbs energies were evaluated for binary biodiesel + benzene and toluene mixtures at 298.15 and 303.15 K. The excess molar volumes VE were determined from density, while the excess Gibbs free
Kocyigit, Ozcan, Ufuk Sancar Vural, Fatih Durmaz, Vural, Ufuk Sancar, Kocyigit, Hasan, Beril Akin, Muradoglu, V., Durmaz, Fatih, Ozcan Kocyigit, Hasan Kocyigit, V. Muradoglu, Akin, Beril, Akın, Beril   +12 more
core   +1 more source

Pulsed Laser‐Assisted Phase Engineering of Multimetallic Colloidal Nanocrystals With Complex Compositions

Advanced Materials, EarlyView.
The engineering of colloidal nanocrystals with complex compositions has emerged as a highly active area of research within nanomaterials science. This review covers key aspects of colloidal solid‐solution nanocrystal formation using pulsed laser irradiation.
Marina T. Candela, Sergio Triviño‐Sánchez, Andrés Guerrero‐Martínez, Luis M. Liz‐Marzán, Guillermo González‐Rubio   +4 more
wiley   +1 more source

EXCESS AND DEVIATIONS PROPERTIES FOR THE BINARY SOLVENT MIXTURES OF TETRAHYDROFURFURYL ALCOHOL WITH SOME AROMATIC HYDROCARBONS AT 298.15K

Studia Universitatis Babes-Bolyai Chemia, 2019
In this work, excess properties (e.g. excess molar volume (VE), excess viscosity (ȠE), excess Gibbs free energy of activation of viscos flow (∆G*E) and molar refraction changes (∆nD) of binary solvent mixtures of tetrahydrofurfuryl alcohol (THFA) with ...
Dhafir Tamween Ajeel AL-HEETIMI, Zainab Abbas AL-DULAIMY, Asal Ahmed AL-JAWARY, Omar Sabeeh AL-KHAZRAJY   +3 more
doaj   +1 more source

Asymmetric Lamellar Templating of the Perovskite/C60 Interface for Scalable Inverted Perovskite Photovoltaics

Advanced Materials, EarlyView.
Asymmetric lamellar templating at the perovskite/C60 interface is achieved using a laterally polarized indole spacer. Surface anchoring and Ind–Ind assembly form a π‐rich lamellar interphase that supports uniform C60 contact formation, suppresses recombination, preserves electron extraction, and enables certified high‐efficiency cells and modules with ...
Taeyoon Ki, Jong‐Guk Ahn, Sangcho Kim, Sangjin Kim, Min‐Ho Lee, In‐Wook Hwang, Jinju Jeong, Soobin Shim, Jaeboong Ahn, Jun Hong Park, Seungjin Lee, Jung‐Yong Lee, Yousoo Kim, Ju‐Hyeon Kim, Hongkyu Kang, Sukwon Hong, Kwanghee Lee   +16 more
wiley   +1 more source

Above Room Temperature Ferroelectricity in Epitaxially Strained KTaO3

Advanced Materials, EarlyView.
Through precise epitaxial engineering, the cubic and paraelectric KTaO3${\rm KTaO}_3$ is transformed into a robust ferroelectric. By leveraging lattice‐mismatched substrates to apply controlled epitaxial strain, a stable ferroelectric ground‐state is achieved with a transition temperature as high as 475 K, establishing KTaO3${\rm KTaO}_3$ as a highly ...
Tobias Schwaigert, Salva Salmani‐Rezaie, Sankalpa Hazra, Utkarsh Saha, Maya Ramesh, Aiden Ross, Betül Pamuk, Long‐Qing Chen, David A. Muller, Darrell G. Schlom, Venkatraman Gopalan, Kaveh Ahadi   +11 more
wiley   +1 more source

Direct Growth of 2D Bilayers on Au(111) for Low‐Coercive Sliding Ferroelectricity

Advanced Materials, EarlyView.
Controlled CVD growth of stacking‐defined bilayer ReS2 on Au(111) enables parallel‐stacked bilayers with intrinsic sliding ferroelectricity, a strong piezoelectric response, and an ultralow coercive voltage. Atomic‐resolution imaging and in situ measurements further reveal the decisive role of clean interfaces in achieving low‐barrier ferroelectric ...
Honglin Chen, Ke Yang, Yuhuan Li, Lingli Huang, Tianren Chen, Ming Yang, Jiong Zhao, Thuc Hue Ly   +7 more
wiley   +1 more source

Review of Inorganic Separator Engineering for Next‐Generation Lithium–Sulfur Batteries: Compromise or Cornerstone?

Advanced Materials, EarlyView.
Inorganic compound‐modified separators transform lithium–sulfur batteries from passive polysulfide confinement to active reaction‐pathway regulation. A Practical Relevance Index (PRI)‐guided framework bridges interfacial chemistry of inorganic separators with practical constraints, establishing unified design principles for scalable, high‐energy ...
Yuting Qin, Tianyi Wang, Xingyu Wang, Kaifu Xu, Yuzhou Wang, Chengyin Wang, Bing Sun, Guoxiu Wang   +7 more
wiley   +1 more source

Thermodynamic, structural, surface and transport properties of Au-Cu melt

Bibechana
Thermodynamic, structural, surface and transport properties of Au-Cu liquid alloy were calculated on the basis of different theoretical modeling equations.
S.K. Yadav, U. Mehta, R.K. Gohivar
doaj   +3 more sources