Results 181 to 190 of about 134,957 (331)

Understanding the influence of group 13 elements on the reactivity of G13-As-Ge imine analogues in 1,3-addition with methyl iodide. [PDF]

RSC Adv
Zhang ZF, Su MD.
europepmc   +1 more source

Heteroatom‐Engineering Promoted Co9S8 Bi‐functional Electrocatalyst for Hydrazine‐Assisted Hydrogen Production at Industrial Current Density

Advanced Functional Materials, EarlyView.
Fe and P co‐doped Co9S8 nanocorals (Fe, P‐Co9S8) are successfully synthesized by a heteroatom engineering strategy, which exhibit outstanding bifunctional electrocatalytic performance for both the hydrogen evolution reaction (HER) and hydrazine oxidation reaction (HzOR).
Yuying Meng, Chunyan Xiang, Wenbiao Zhang, Dahai Zeng, Bing Du, Bao Zhong, Yue Jiang, Damien Voiry, Qingsheng Gao   +8 more
wiley   +1 more source

Rationalizing Patterns in the Cation Ordering, Geometric Distortion, and Electronic Properties of a Class of I-V-VI₂ Chalcogenide Semiconductors. [PDF]

J Phys Chem C Nanomater Interfaces
Flanagin G, Berger RF.
europepmc   +1 more source

Applications of molecular orbital-valence bond theory in chemistry

, 1983
N. D. Epiotis
openalex   +2 more sources

Theory‐Guided Design of Non‐Precious Single‐Atom Catalyst for Electrocatalytic Chlorine Evolution

Advanced Functional Materials, EarlyView.
To overcome the reliance on noble metals for the chlorine evolution reaction (CER), we designed a non‐precious single‐atom catalyst (SAC), NiN3O–O. It achieves a low overpotential of 75 mV, 95.8% Cl2 selectivity, and outperforms commercial dimensionally stable anodes (DSAs).
Kai Ma, Longfei Yang, Xiaojin Yang, Chang Zhang, Di Zhang, Linda Zhang, Li Wei, Chenliang Ye, Hao Li, Weijie Yang   +9 more
wiley   +1 more source

Understanding the formation mechanism and structural aspects of anti-cancer drug platinum uracil blue by quantum chemical studies. [PDF]

RSC Adv
Ghatak A, Banerjee S.
europepmc   +1 more source

Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorizationviavalence bond theory and high-level computational approaches

, 2020
Xin Shao, Adélia J. A. Aquino, Michal Otyepka, Dana Nachtigallová, Hans Lischka   +4 more
openalex   +2 more sources

Modulating Interfacial Potential Gradients in Metal−Carbon Catalysts via Phase‐Engineering for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim, Hengquan Guo, Seonghee Kim, Jae Bin Park, Seongwook Chae, Taekyun Kwon, Seungjo Hong, Byeong Jin Kim, Guadalupe Arturo De la Garza Gonzalez, Minjoon Park, Jae Ho Kim, Oi Lun Li, Seung Geol Lee, Jin Hong Lee   +13 more
wiley   +1 more source

Electrically and mechanically tunable Rashba splitting in SbSeI Janus layer: a density functional theory study. [PDF]

Sci Rep
Kumar A, Sudheer AE, Tejaswini G, Vallinayagam M, Zschornak M, Murali D, Kamal C.   +6 more
europepmc   +1 more source

Breakdown of Valence Shell Electron Pair Repulsion Theory in an H-Bond-Stabilized Linear sp-Hybridized Sulfur

, 2020
Jin Wu, Bo Jin, Xiang Wang, Yayun Ding, Xiaoli Wang, Dandan Tang, Xiaohong Li, Jie Shu, Dong‐Sheng Li, Qipu Lin, Yan‐Bo Wu, Tao Wu   +11 more
openalex   +1 more source