Results 151 to 160 of about 46,098 (295)

Atomic‐Scale Understanding of Selectivity Control in Nitrate Reduction on Cu(100) Under Acidic and Alkaline Conditions

Angewandte Chemie, EarlyView.
A combination of ab initio molecular dynamics simulations and density functional theory calculations clarifies the pH‐dependent origin of the selectivity of nitrate reduction on Cu(100). ABSTRACT We investigate the nitrate reduction reaction (NO3 RR) on the Cu(100) surface using grand‐canonical density functional theory (GC‐DFT) under constant ...
Ebrahim Tayyebi, Kai S. Exner
wiley   +2 more sources

Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows

Advanced Intelligent Systems, EarlyView.
This study provides an introduction to Bayesian optimisation targeted for experimentalists. It explains core concepts, surrogate modelling, and acquisition strategies, and addresses common real‐world challenges such as noise, constraints, mixed variables, scalability, and automation.
Chuan He, Martin Singull, T. Jesper Jacobsson   +2 more
wiley   +1 more source

Light‐Induced Dispersion of Pd Single Atoms Provides Steady‐State‐Stabilized Activity for Photocatalytic H2 Generation

Angewandte Chemie, EarlyView.
High photon flux causes (re)distionpersion of atomic Pd species on TiO2 in photocatalytic experiments, whereas Pt SAs undergo continuous agglormation. This allows light‐driven stabilization of active Pd centers for sustained H2 evolution. ABSTRACT In recent years, the use of single atoms (SAs) has become increasingly significant in photocatalysis ...
Xin Zhou, Nikita Denisov, Ana S. Dobrota, Natalia V. Skorodumova, Igor A. Pašti, Hyesung Kim, Patrik Schmuki   +6 more
wiley   +2 more sources

Recent progresses on Janus electrocatalysts for water electrolysis: A critical review

APL Energy
Newly emerged Janus materials showed the vast potential for catalysis and photocatalysis owing to their multifunctional properties, attracting attention as next-generation functional materials.
Sayak Roy, Ummiya Qamar, Assa Aravindh Sasikala Devi, Santanu Das   +3 more
doaj   +1 more source

Solar‐Driven Ammonia Synthesis From Nitrate Reduction Paired With CO2 Capture for Sustainable Agriculture via a Robust CuPd Heterojunction

Angewandte Chemie, EarlyView.
Laser‐assisted synthesis of CuPd amorphous/crystalline heterojunction demonstrates >80% Faradaic efficiency for nitrate‐to‐ammonia electroreduction across wide potential windows. The integrated solar‐powered electrolyzer achieves 6% solar‐to‐ammonia energy efficiency at 0.4 sun, 6–20 mg h−1 CO2 capture rate, and stability exceeding 100 h.
Weihua Guo, Xiaofeng Huang, Yangbo Ma, Yun Song, Zihao Li, Qiang Zhang, Yinger Xin, Jianjun Su, Mingming He, Ruixuan Wang, Rui Xue, Xing Li, Shibo Xi, Jian Wang, Shenlong Zhao, Siwei Zhang, Ben Zhong Tang, Alex K. Y. Jen, Ruquan Ye   +18 more
wiley   +2 more sources

Convergent Valorization via Scalable C═N Bond Electrosynthesis Through Metal‐Dopant Interfacial Engineering in a Flow Electrolyzer

Angewandte Chemie, EarlyView.
This study establishes an innovative approach to synthesize organonitrogens featuring C═N bonds efficiently using non‐precious metal‐doped MoS2 in a flow electrolyzer. Fe dopant significantly enhances Faradaic efficiency and yield rate, achieving over 81% and 2630 mmol h−1 g−1 for formaldoxime production. This platform upcycles pollutants into valuable
Ruijie Yi, Jiu Chen, Xiaoyong Mo, Tian Zeng, Jingtao Zhou, Fulai Liu, Shu‐Chih Haw, Yong Chen, Ruosong Li, Edmund C. M. Tse   +9 more
wiley   +2 more sources

Nanomaterials for Sustainable Green Energy. [PDF]

Nanomaterials (Basel)
Ding Z, Gao L.
europepmc   +1 more source

Fluorescence Turn-On, Specific Detection of Cystine in Human Blood Plasma and Urine Samples by Nitrogen-Doped Carbon Quantum Dots

ACS Omega, 2019
Gopi Kalaiyarasan, Chauhan Hemlata, James Joseph   +2 more
doaj   +1 more source

Spin effect regulation as a design principle for M-N-C catalysts for oxygen electrocatalysis. [PDF]

Chem Sci
Li H, Fu Z, Yuan Y, Zhang D, Chen Y, Li H, Cao A.   +6 more
europepmc   +1 more source

Electronic structure manipulation in electrocatalysis: mechanisms and design principles. [PDF]

Chem Sci
Shi H, Li Y, Pang S, Ma A, Lai J, Wang L.   +5 more
europepmc   +1 more source