Results 151 to 160 of about 52,686 (280)

Physics-encoded machine learning for performance and emission prediction of nickel ferrite nanocatalyst and hydrogen-enriched biodiesel in diesel engines. [PDF]

RSC Adv
Van Minh N, Jayabal R, Leo G M L, S S, L K, Joseph R, P J, Sivanraju R.   +7 more
europepmc   +1 more source

Development and optimization of a new general thermodynamic deracemization method : co-crystallization Induced Spontaneous Deracemization

, 2020
In pharmaceutical industry, 50% of the marketed drug compounds contain a chiral center, essential to their functioning. Where one enantiomer has the desired pharmacological effect, the other might be inactive, equally active or have adverse effects. For this reason, development of enantiopure drugs is strongly recommended by regulation authorities to ...
openaire   +1 more source

Epitaxial Growth of p‐Type β‐Ga2O3 Thin Films and Demonstration of a p–n Diode

Advanced Electronic Materials, EarlyView.
This study demonstrates p‐type conductivity in β‐Ga2O3 via Te–Mg co‐doping using MOCVD. The films show tunable hole concentrations up to 1.78×1017 cm−3, and a fabricated p–n diode exhibits rectifying behavior. Density functional theory reveals that Te introduces an intermediate band, lowering the Mg acceptor ionization energy and enabling p‐type ...
Chuang Zhang, Hanzhao Song, Chee Keong Tan   +2 more
wiley   +1 more source

Mechanical stability and thermodynamic properties of GeP and [Formula: see text] as battery anode materials from first principles. [PDF]

Sci Rep
Truong DT, Hoang NH, Phan CM, Nguyen AG, Trinh TT.   +4 more
europepmc   +1 more source

Degradation Mechanism of Phosphate‐Based Li‐NASICON Conductors in Alkaline Environment

Advanced Energy Materials, Volume 15, Issue 11, March 18, 2025.
The presence of water in the cathode of a Li‐air battery shifts reactions to produce LiOH, creating a corrosive, alkaline environment. This study investigates the alkaline stability of the common Li‐NASICON solid‐state conductor chemistries through a systematic experimental study combined with computational modeling to understand the degradation ...
Benjamin X. Lam, Zhuohan Li, Tara P. Mishra, Gerbrand Ceder   +3 more
wiley   +1 more source

Decoding Gas Evolution Pathways and Interfacial Chemistry in Layered Oxide Cathodes for Safer Sodium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Gas evolution behaviors of sodium layered oxide cathodes with varying compositions, cutoff voltages, dopants, and particle sizes/morphologies have been systematically investigated by online electrochemical mass spectrometry. The fundamental outgassing mechanisms of sodium‐based cathodes compared to lithium‐based cathodes have been elucidated.
Chen Liu, Zehao Cui, Arumugam Manthiram
wiley   +1 more source

Machine learning-directed massively parallel programmable nucleic acid amplification. [PDF]

Sci Adv
Weng Z, Huang W, Wu Y, Xiu X, Lv H, Wang F, Zuo X, Fan C, Song P.   +8 more
europepmc   +1 more source

Toward a Rational Design of Conjugated Copolymers with Oxygenated Side Chains for Boosting Thermoelectric Properties

Advanced Energy Materials, EarlyView.
The molecular design strategy that integrates both side chain and backbone engineering in diketopyrrolopyrrole‐based conjugated polymers to identify the optimal balance between doping efficiency and microstructural order is demonstrated. Comprehensive spectroscopic, electrochemical, morphological, and structural characterizations reveal that the ...
Taewoong Han, Suhui Sim, Hoimin Kim, Taewoong Yoon, Hyungju Ahn, Seungjoo Chang, Namgyu Park, Hajeong Kim, Shabaz Alam, Dongki Lee, Sungjun Park, Sungjoo Lee, Jaewon Lee, Boseok Kang   +13 more
wiley   +1 more source

First-principles insights into the Janus MoPC monolayer as a promising anode for sodium-ion batteries. [PDF]

RSC Adv
Vu TV, Hoang DQ, Ho TH, Tong HD, Pham KD.   +4 more
europepmc   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source