Results 211 to 220 of about 1,180,755 (291)

Natural talc: a basic, cost-effective, and available catalyst for the one-pot synthesis of dihydropyranochromenes and pyranopyrazoles, along with related DFT calculations. [PDF]

Sci Rep
Dehghanizadeh A, Mirjalili BBF, Basharnavaz H.   +2 more
europepmc   +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

Electrochemical and Optical Experiments and DFT Calculations of 1,4,6,8-Tetrakis((<i>E</i>)-2-(thiophen-2-yl)vinyl)azulene. [PDF]

Molecules
Musina Borsaru C, Brotea AG, Cristea M, Stanciu G, Stefaniu A, Ungureanu EM.   +5 more
europepmc   +1 more source

Atomic‐Scale Detection of Néel Vector Switching in the Single‐Layer A‐Type Antiferromagnet Cr2S3‐2D

Advanced Materials, EarlyView.
Interfacial electron donation from graphene redistributes charge within single‐layer Cr2S3‐2D, preferentially accumulating at the lower Cr/S plane. The resulting minute magnetic imbalance lifts the equivalence of the two magnetic sublayers, enabling atomic‐resolution identification and field‐induced control of Néel‐vector states in a two‐dimensional A ...
Affan Safeer, Calisa Dias, Mahdi Ghorbani‐Asl, Abdallah Karaka, Pradyumna Bawankule, Weibin Li, Pierluigi Gargiani, Wouter Jolie, Arkady V. Krasheninnikov, Amilcar Bedoya‐Pinto, Thomas Michely, Jeison Fischer   +11 more
wiley   +1 more source

Flavonoids as Promising Akt1 Inhibitors in Cancer Medicine: Insights From Molecular Docking, Dynamics, DFT Calculations, and In Vitro Validation. [PDF]

Cancer Rep (Hoboken)
Jamshidi S, Eghbalian A, Shojaei S, Taherkhani A, Feizi-Dehnayebi M.   +4 more
europepmc   +1 more source

Sub‐Nanometer Cobalt on Tungsten Titanium Carbide MXene (W2TiC2Tx): An Electrocatalyst for Highly Efficient and Stable Alkaline Hydrogen Evolution at Industrial‐Scale Current Density

Advanced Materials, EarlyView.
A novel W2TiC2Tx MXene prepared through a MAX‐phase route supports sub‐nanometer Co for highly efficient alkaline hydrogen evolution. Strong Co–W interfacial interactions optimize hydrogen adsorption and catalytic activity, enabling low overpotentials of 63 mV at 10 mA cm−2, small Tafel slope of 44.3 mV dec−1, and exceptional durability at industrially
Xiaopeng Liu, Fan Yang, Deep M. Patel, Mohammad Albloushi, Qiqi Mao, Shan Jiang, Christian J. Breckner, Connor W. Schroeder, Ruoyu Cui, Tao Ma, Dapeng Jing, Wenyu Huang, Jeffrey T. Miller, Wenzhen Li, Luke T. Roling, Yue Wu   +15 more
wiley   +1 more source

Mechanical, half-metallic ferro-magnetic and thermoelectric properties double perovskites Li₂W(Cl/Br)₆ for spintronic and energy devices: DFT-calculations. [PDF]

Sci Rep
Ahmad M, Khan R, Sohaib MU, Noor NA, Mumtaz S, Elansary HO, Ibrahim A.   +6 more
europepmc   +1 more source

Efficient Hydroxyl Diffusion Triggers Surface Hydronium Enrichment and Bulk Proton Participation to Boost Alkaline Hydrogen‐Evolving Reaction

Advanced Materials, EarlyView.
For the first time, we shed light on the surface‐to‐bulk diffusion, induction, and reaction behaviors of OH−, H+, and H2O species on model oxides for alkaline hydrogen‐evolving reaction (HER). We first demonstrate that bulk OH− diffusion significantly affects the generation of proton sources and the diffusion/reaction behaviors of protons, thus ...
Daqin Guan, Hengyue Xu, Xiao Sun, Leqi Zhao, Chun‐Kuo Peng, Chao Jing, Yu‐Cheng Huang, Jiayi Tang, Nai Shi, Zezhou Lin, Xiaomin Xu, Zhiwei Hu, Zongping Shao   +12 more
wiley   +1 more source

Visualization of the local dipole moment at the Si(111) surface using DFT calculations. [PDF]

Sci Rep
Sumiyoshi A, Yamasue K, Cho Y, Nakamura J.   +3 more
europepmc   +1 more source

Engineering Metal‐Pocket Cooperativity in Single‐Atom COF Nanozymes for Selective Cascade Catalysis

Advanced Materials, EarlyView.
A multilevel programming strategy is developed to engineer single‐atom COF nanozymes with tunable metal centers and chiral pockets inspired by heme–pocket cooperativity. This approach enables controlled metal–pocket interplay for asymmetric cascade catalysis, delivering high activity, selectivity, and recyclability in an asymmetric oxidation–aldol ...
Ziping Li, Qijun Sun, Yawen Hao, Haotian Wen, Shery Chang, Fengwang Li, Jiangtao Xu, Kang Liang   +7 more
wiley   +1 more source