Results 191 to 200 of about 2,777,569 (296)

Thermodynamic stability and optoelectronic property modulation of KTaO₃ via substitutional doping with Sr, Ba, La and Pr. [PDF]

Sci Rep
Javed F, Alay-E-Abbas SM, Ibrahim A, Abbas G.   +3 more
europepmc   +1 more source

Thermodynamic Limits to Molecular Doping in Conjugated Polymers: A Perspective on Phase Behavior and Miscibility

Advanced Materials, EarlyView.
Molecular doping of conjugated polymers is fundamentally constrained by thermodynamic phase behavior. This Perspective reframes doping efficiency and stability in terms of miscibility limits, binodals, and solvus boundaries, highlighting the role of effective interaction parameters and charge transfer.
Somayeh Kashani, Justin Neu, Sung‐Joo Kwon, Runqio Song, Zixuan Chen, Tajah Trapier, Paschalis Gkoupidenis, David Ginger, Wei You, Jasper J. Michels, Harald Ade   +10 more
wiley   +1 more source

A methodology for calculating the rarity of diverse proteins based on functional specificity and thermodynamic stability. [PDF]

PLoS One
Miller BJ.
europepmc   +1 more source

Clustomesogen Showing Sub‐Zero Liquid Crystal Properties: Supramolecular Assembly Between Cs2[Mo6Ii8(OCOC2F5)6] and Hexaethylenoxide Containing Mesogenic Dimers

Advanced Materials, EarlyView.
Associating a red‐NIR phosphorescent octahedral hexanuclear molybdenum cluster compound with hexaethyleneoxide chains bearing mesogenic units on both ends leads to an emissive hybrid liquid crystal showing mesomorphism on a very unusual temperature range down to −25°C.
Killiann Heinz, Jeanne Rebours, Zoulikha Zerrouqi, Noée Dumait, Maria Amela‐Cortes, Nikolai Scheuring, Sara Simonovska, Sebastian Marino, Max Ebert, Stéphane Cordier, Sabine Laschat, Yann Molard   +11 more
wiley   +1 more source

A Multipurpose Study of BaZrS₃ and BaHfS₃: Absolute Entropies, Thermal Decomposition, and Prediction of Intrinsic and Extrinsic Thermodynamic Stability. [PDF]

J Phys Chem C Nanomater Interfaces
Gibson A, Ciccioli A, Parkinson N, Testa R, Di Conzo C, Rossi M, Latini A, Vecchio Ciprioti S, Yetkin HA, Dale PJ, Woodfield B, Romagnoli L.   +11 more
europepmc   +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

Comprehensive insights into thermodynamic stability, optoelectronic properties, thermoelectric properties, and photocatalytic hydrogen evolution potential of halide double perovskites Rb₂TlAlX₆ (X = Cl, Br, I): first-principles and AIMD approach. [PDF]

RSC Adv
Ayyaz A, Ullah MA, Yaseen H, Mumtaz I, Alkhaldi ND, Al-Anazy MM, Bouzgarrou S, Benghanem M, El-Badry BA.   +8 more
europepmc   +1 more source

Path‐Decoupled Cation‐Eutaxy III–V van der Waals Memristive Semiconductors for Mitigating the Neuromorphic Accuracy‐Energy Trade‐off

Advanced Materials, EarlyView.
Path‐decoupled III–V van der Waals memtransistors spatially separate ionic and electronic transport to overcome the conventional trade‐off between accuracy and energy in neuromorphic hardware. Mobile K+ ions in the vdW gaps set a wide conductance window, Gmax/Gmin, while gate‐tunable hole conduction lowers programming energy, enabling reliable ...
Jihong Bae, Ji Hoon Han, Taeyoung Kim, Jongbum Won, Seokmin Park, Gyu Won Kim, Sungsoon Kim, Hong Choi, Taehoon Kim, Hong‐Sub Lee, Jae‐Hyun Lee, Young Jin Choi, Jinwoo Cheon, Wooyoung Shim   +13 more
wiley   +1 more source

Defect and carrier characteristics of chalcogenide perovskite BaZrS₃ under thermodynamic stability: a first-principles study for photovoltaic application. [PDF]

RSC Adv
Chen Q, Ni Y, Wang Y.
europepmc   +1 more source

Laser‐Assisted Phase Engineering of 2D MoS2 for Efficient Solution‐Processed Electronics

Advanced Materials, EarlyView.
Here, local laser‐assisted phase transition from solution‐processed phase‐pure 1T′ to 2H MoS2 is shown to critically depend on the irradiation atmosphere. While processing in air leads to damaged insulating regions, inert conditions yield semiconducting 2H domains, enabling direct field‐effect transistor patterning with optimized lateral 1T′‐2H MoS2 ...
Anna Zhuravlova, Minjuan Li, Osamah Alharbi, Yeonsu Jeong, Bin Han, Lei Gao, Mischa Bonn, Mario Lanza, Sheng Yang, Antonio Gaetano Ricciardulli, Paolo Samorì   +10 more
wiley   +1 more source