Results 101 to 110 of about 53,220 (229)

KARAKTERISTIK STRUKTUR ELEKTRONIK KOMPLEKS RUTHENIUM DENGAN LIGAND BIPIRIDIN DAN BISPIDIN: STUDI KOMPUTASI KIMIA SEBAGAI FOTOSENSITIZER DALAM DSSC

Dalton
Penelitian ini menginvestigasi serangkaian kompleks ruthenium dengan substitusi ligand bipiridin dan bispidin yang bervariasi, untuk mengevaluasi potensinya sebagai fotosensitizer dalam sel surya tersensitisasi zat warna (DSSC).
Firmansyah Firmansyah, Ahmad Ridhay
doaj   +1 more source

Voltage‐Gated Dedoping of n‐Doped Poly(benzodifurandione) as an Interfacial Protective Mechanism in Electrochromic Devices

Advanced Functional Materials, EarlyView.
Electrochromic polymer stability under overpotential is improved by inserting an ultrathin, transparent n‐doped poly(benzodifurandione) interlayer between indium tin oxide and a poly(3,4‐propylenedioxythiophene)‐based electrochromic polymer. The interlayer supports rapid switching at operating bias, then becomes resistive near +0.8 V to suppress excess
Priyanka Rout, Palak Mehra, Won‐June Lee, Liyan You, Jianguo Mei   +4 more
wiley   +1 more source

Quantum Chemical Study of Some Benzimidazole and its Derivatives as Corrosion Inhibitors of Steel in HCl Solution

International Journal of Electrochemical Science, 2014
The relationships between corrosion inhibition performance of three kinds of benzimidazole inhibitors compounds and their molecular electronic properties have been investigated using quantum chemistry method.
Shuangkou Chen, Bai He, Yuanzhi Liu, Yue Wang, Jianfang Zhu   +4 more
doaj   +1 more source

Establishing a Model Precursor System: Over a Decade of Research on Carbon Dots from the Citric Acid‐Urea System

Advanced Functional Materials, EarlyView.
The citric acid/urea (CA‐Urea) precursor system offers a versatile, scalable route to carbon dots with tunable luminescence and multifunctionality. Mechanistic insights into precursor chemistry and reaction parameters have enabled doping, surface modification, and hybridization strategies, yielding CDs for luminescent devices, sensing, catalysis ...
Yupeng Liu, Zhiqi Cai, Xiangxin Sun, Hanyi Zhang, Yiming Hao, Jun Wu, Zekun Yan, Xue Wu, Yiqi Liang, Liming Wang, Songnan Qu   +10 more
wiley   +1 more source

Energy Component Analysis for Electronically Excited States of Molecules: Why the Lowest Excited State Is Not Always the HOMO/LUMO Transition. [PDF]

J Chem Theory Comput, 2023
Kimber P, Plasser F.
europepmc   +1 more source

Temperature‐Robust Interphase Enables Carboxylate‐Ester Electrolyte for Stabilizing High‐Voltage Sodium Batteries

Advanced Functional Materials, EarlyView.
A synergistic electrolyte engineering strategy of employing ethyl acetate (EA) with vinylene carbonate (VC) as multifunctional additives is initially pioneered, making various as‐prepared high‐voltage wide‐temperature sodium batteries work well via the formation of a gradient and temperature‐robust interphase.
Huihua Li, Shuaijie Chang, Hongxu Qu, Jian Wang, Fanglin Wu, Minghua Chen, Huang Zhang   +6 more
wiley   +1 more source

Highly efficient electrochemiluminescence of quinoline and isoquinoline in aqueous solution

Electrochemistry Communications, 2019
This paper reports for the first time the strong cathodic electrochemiluminescence (ECL) behavior of quinoline, isoquinoline and their derivatives in aqueous solution with K2S2O8 as coreactant. The effects of K2S2O8 concentration, pH and scan rate on the
Xiangxiang Qin, Xia Xu, Jing Lu, Yinggui Zhu   +3 more
doaj   +1 more source

Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap. [PDF]

J Phys Chem C Nanomater Interfaces, 2022
Zhang T, Svensson PHW, Brumboiu IE, Lanzilotto V, Grazioli C, Guarnaccio A, Johansson FOL, Beranová K, Coreno M, de Simone M, Floreano L, Cossaro A, Brena B, Puglia C.   +13 more
europepmc   +1 more source

Investigation of Halogen Substitution Effects in π‐Conjugated Organic Ligands of Chiral Hybrid Perovskites on Their Chiroptical Activity

Advanced Functional Materials, EarlyView.
The role of novel thiophene‐based ligands with halogen substitutions in enhancing the chiroptical and optoelectronic properties of 2D chiral HOIPs has been investigated. By tailoring ligand design, enhanced CD and CPL properties are achieved, with improved CPL discrimination in photodetectors.
Boesung Kwon, Doyeong Yeo, In‐Chul Hwang, In Hwan Jung, Joon Hak Oh   +4 more
wiley   +1 more source

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules. [PDF]

J Cheminform, 2022
Choi JY, Zhang P, Mehta K, Blanchard A, Lupo Pasini M.   +4 more
europepmc   +1 more source