Results 191 to 200 of about 12,478 (266)

Investigation of Solvent and Stirring-Assisted Morphologically Tuned CuO-ZnO-CeO₂ Catalyst for CO₂ Hydrogenation to Methanol. [PDF]

ACS Omega
Kanuri S, Singh SA, Dinda S.
europepmc   +1 more source

Insights Into CO2 Loss, pH Effects, and Tafel Kinetics in Ni Single Atom‐Driven Bicarbonate Electroreduction

Advanced Science, EarlyView.
Selective CO formation in bicarbonate electrolysis is achieved by retaining reactive CO2 and tuning pH, while the competing hydrogen evolution reaction occurs at the interface. The rate‐determining step couples the chemical equilibrium of bicarbonate/CO2 with electrochemical charge transfer, offering insight into optimizing reaction conditions for ...
Lin Li, Yi‐Jie Kong, Ting Zhang, Xu Han, Kristine Aalestrup, Steen Uttrup Pedersen, Xin‐Ming Hu, Kim Daasbjerg   +7 more
wiley   +1 more source

CO₂ Hydrogenation to Methanol: Impact of Calcination Temperature on CuMn/Al₂O₃ Catalyst Morphology and Performance. [PDF]

ACS Omega
Alhajabdalla M, Ewis D, Mondal KC, Prakash AV, El-Naas MH.   +4 more
europepmc   +1 more source

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Design Principles of Catalytic Materials for CO₂ Hydrogenation to Methanol. [PDF]

Adv Mater
Araújo TP, Mitchell S, Pérez-Ramírez J.   +2 more
europepmc   +1 more source

Deciphering Short‐Range Order in 2D Transition Metal Dichalcogenides: From Origin to Multi‐Scale Property Modulation

Advanced Science, EarlyView.
Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu, Linggang Zhu, Jian Zhou, Zhimei Sun   +3 more
wiley   +1 more source

Boosting Selectivity toward Long-Chain α‑Olefins in CO₂ Hydrogenation through Strengthening ZnO-Fe Interactions with Favorable Iron Phase Regulation for Fischer-Tropsch Synthesis. [PDF]

JACS Au
Fan Z, Li Z, Li Y, Li Q, Yan S, Nie G, Li D, Wang C, He H, Liu J, Liu B, Liu X.   +11 more
europepmc   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

Oxygen-Vacancy-Engineered Pd-WO_3-<i>x</i> for Enhanced Plasma-Catalyzed CO₂ Hydrogenation to CO. [PDF]

ACS Catal
Cheng C, Wang Y, Wang JN, Xu H, Huang W, Liu Z, Li W, Li Y, Qu Z, Tu X, Yan N.   +10 more
europepmc   +1 more source

NiFe₂O₄ spinel engineering for transcending the dilemma of activity-selectivity in CO₂ hydrogenation to ethanol. [PDF]

Nat Commun
Xiang W, Yasuda S, Zhang L, Fan J, Tsukamoto K, Xin Y, Tsubaki N.   +6 more
europepmc   +1 more source