Works matching DE "ORBITAL hybridization"

Results: 440

Annealing Time Effect on the Microstructure, Phase Evolution, and Magnetic Properties of Self-Foaming AlCuFe Alloy.

Published in:

Inorganics, 2025, v. 13, n. 5, p. 149, doi. 10.3390/inorganics13050149

By:

López, Rodolfo;
Hernández, José Manuel;
Damián, Carlos;
Lopez, Ismeli Alfonso;
Gonzalez, Gonzalo;
Figueroa, Ignacio Alejandro

Publication type:

Article

Theoretical Insights into Hydrogen Production from Formic Acid Catalyzed by Pt-Group Single-Atom Catalysts.

Published in:

Materials (1996-1944), 2025, v. 18, n. 10, p. 2328, doi. 10.3390/ma18102328

By:

Jin, Tao;
Liang, Sen;
Zhang, Jiahao;
Li, Yaru;
Bai, Yukun;
Wu, Hangjin;
Razanau, Ihar;
Pan, Kunming;
Wang, Fang

Publication type:

Article

Phosphorus‐Mediated Selenium Dual Atoms for Bifunctional Oxygen Reactions and Long‐Life Low‐Temperature Energy Conversion.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 22, p. 1, doi. 10.1002/adfm.202423476

By:

Xia, Lingzhi;
Zhang, Jianhua;
Yan, Pengfei;
Zhou, Kai‐Ling;
Jin, Yuhong;
Ke, Xiaoxing;
Liu, Jingbin;
Wang, Hao

Publication type:

Article

DFT-Based Investigation of Pd-Modified WO 3 /Porous Silicon Composites for NO 2 Gas Sensors: Enhanced Synergistic Effect and High-Performance Sensing.

Published in:

Coatings (2079-6412), 2025, v. 15, n. 5, p. 570, doi. 10.3390/coatings15050570

By:

Qiang, Xiaoyong;
Wang, Zhipeng;
Guo, Yongliang;
Zhou, Weibin

Publication type:

Article

Structural, Electronic Structure, and Electrical Properties of Pure and Vanadium-Doped CuCrO2 Thin Films.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 11, p. 6778, doi. 10.1007/s11664-024-11342-z

By:

Bishnoi, Bhagwanti;
Sharma, Aditya;
Dhillon, Anju;
Barot, Nishant;
Mehta, P. K.;
Chae, Keun Hwa

Publication type:

Article

Photo-Induced Anomalous Deformation of Poly( N -Isopropylacrylamide) Gel Hybridized with an Inorganic Nanosheet Liquid Crystal Aligned by Electric Field.

Published in:

Macromolecular Rapid Communications, 2014, v. 35, n. 20, p. 1741, doi. 10.1002/marc.201400333

By:

Inadomi, Takumi;
Ikeda, Shogo;
Okumura, Yasushi;
Kikuchi, Hirotsugu;
Miyamoto, Nobuyoshi

Publication type:

Article

Non‐Fullerene Electron Acceptors Based on Hybridisation of Corannulene and Thiophene‐S,S‐Dioxide Motifs.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 18, p. 1, doi. 10.1002/chem.202203856

By:

Báti, Gábor;
Csókás, Dániel;
Giurgi, Gavril‐Ionel;
Zhou, Jingsong;
Szolga, Lorant A.;
Webster, Richard D.;
Stuparu, Mihaiela C.

Publication type:

Article

Not Carbon s–p Hybridization, but Coordination Number Determines C−H and C−C Bond Length.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 24, p. 7074, doi. 10.1002/chem.202004653

By:

Vermeeren, Pascal;
Zeist, Willem‐Jan;
Hamlin, Trevor A.;
Fonseca Guerra, Célia;
Bickelhaupt, F. Matthias

Publication type:

Article

Combining Traceless Directing Groups with Hybridization Control of Radical Reactivity: From Skipped Enynes to Defect-Free Hexagonal Frameworks.

Published in:

Angewandte Chemie, 2016, v. 128, n. 38, p. 11805, doi. 10.1002/ange.201605799

By:

Pati, Kamalkishore;
dos Passos Gomes, Gabriel;
Alabugin, Igor V.

Publication type:

Article

Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4.

Published in:

Angewandte Chemie, 2015, v. 127, n. 32, p. 9318, doi. 10.1002/ange.201504315

By:

Calta, Nicholas P.;
Im, Jino;
Rodriguez, Alexandra P.;
Fang, Lei;
Bugaris, Daniel E.;
Chasapis, Thomas C.;
Freeman, Arthur J.;
Kanatzidis, Mercouri G.

Publication type:

Article

High Correlation between Oxidation Loci on Graphene Oxide.

Published in:

Angewandte Chemie, 2014, v. 126, n. 38, p. 10354, doi. 10.1002/ange.201404144

By:

Yang, Jinrong;
Shi, Guosheng;
Tu, Yusong;
Fang, Haiping

Publication type:

Article

Engineering Multimodal Localized Surface Plasmon Resonances in Silicon Nanowires.

Published in:

Angewandte Chemie, 2013, v. 125, n. 31, p. 8237, doi. 10.1002/ange.201301468

By:

Chou, Li ‐ Wei;
Filler, Michael A.

Publication type:

Article

Resonant Photoemission Observations and DFT Study of s-d Hybridization in Catalytically Active Gold Clusters on Ceria Nanorods.

Published in:

Angewandte Chemie, 2013, v. 125, n. 27, p. 7074, doi. 10.1002/ange.201301383

By:

Zhou, Yunyun;
Lawrence, Neil J.;
Wang, Lu;
Kong, Lingmei;
Wu, Tai-Sing;
Liu, Jing;
Gao, Yi;
Brewer, Joseph R.;
Lawrence, Vivianna K.;
Sabirianov, Renat F.;
Soo, Yun-Liang;
Zeng, Xiao Cheng;
Dowben, Peter A.;
Mei, Wai Ning;
Cheung, Chin Li

Publication type:

Article

Effective atomic charges and orbital hybridization in ZnX (X = S, Se, Te) crystals from first principles.

Published in:

Inorganic Materials, 2015, v. 51, n. 1, p. 11, doi. 10.1134/S0020168514120164

By:

Mavrin, B.;
Perminova, M.

Publication type:

Article

SYNTHESIS OF NEW SUBSTITUTED PYRIDINES VIA VILSMEIER-HAACK REAGENT.

Published in:

Issues of Chemistry & Chemical Technology / Voprosy Khimii & Khimicheskoi Tekhnologii, 2023, n. 1, p. 34, doi. 10.32434/0321-4095-2023-146-1-34-39

By:

Smetanin, N. V.;
Varenichenko, S. A.;
Kharchenko, A. V.;
Farat, O. K.;
Markov, V. I.

Publication type:

Article

Evaluating the Hydrogen Evolution Reaction Activity of Colloidally Prepared PtSe2 and PtTe2 Catalysts in an Alkaline Medium.

Published in:

ChemistryOpen, 2024, v. 13, n. 10, p. 1, doi. 10.1002/open.202400146

By:

Mxakaza, Lineo F.;
Mashindi, Victor;
Linganiso, Cebisa E.;
Moloto, Nosipho;
Tetana, Zikhona N.

Publication type:

Article

Computational Insights into the Adsorption Mechanism of Zn Ion on the Surface (110) of Sphalerite from the Perspective of Hydration.

Published in:

Minerals (2075-163X), 2023, v. 13, n. 9, p. 1113, doi. 10.3390/min13091113

By:

Zhang, Chenyang;
Zhang, Feng;
Liu, Siyuan;
Fan, Dong;
Rao, Xin;
Chen, Jianhua;
Wen, Jing;
Zhu, Yangge;
Sun, Wei

Publication type:

Article

Design of various Ni–Cr nanostructures and deducing their magnetic anisotropy.

Published in:

Applied Nanoscience, 2023, v. 13, n. 5, p. 3205, doi. 10.1007/s13204-021-01998-y

By:

Bohra, Murtaza;
Battula, Sai Vittal;
Alman, Vidya;
Annadi, Anil;
Singh, Vidyadhar

Publication type:

Article

CO2 capture by Li-functionalized silicene.

Published in:

Physica Status Solidi - Rapid Research Letters, 2016, v. 10, n. 6, p. 458, doi. 10.1002/pssr.201600102

By:

Zhu, Jiajie;
Chroneos, Alexander;
Schwingenschlögl, Udo

Publication type:

Article

Coordination propensity of N-protected amino acids and sterically congested heterocyclic β-diketones toward BuSnCl3: preparation and structural features of some new seven coordinated organic-inorganic hybrid formulations of monobutyltin(IV)

Published in:

Main Group Metal Chemistry, 2014, v. 37, n. 3/4, p. 75, doi. 10.1515/mgmc-2014-0001

By:

Srivastava, Manish Kumar;
Jain, Asha;
Saxena, Sanjiv

Publication type:

Article

Investigate the Function and Structure of (Fe,Cr) La2Ti2O7 Photocatalyst Calcined under the Nitrogen Atmosphere.

Published in:

Bulletin of Chemical Reaction Engineering & Catalysis, 2023, v. 18, n. 1, p. 151, doi. 10.9767/bcrec.17634

By:

Luangthanarak, Hussanai;
Supruangnet, Ratchadaporn;
Tanthanuch, Waraporn;
Watcharamaisakul, Sukasem

Publication type:

Article

Editorial corner - a personal view Chemical hybridizations of polyurethanes with fillers.

Published in:

2014

By:

Kim, B. K.

Publication type:

Editorial

First-Principles Calculations to Investigate Electronic and Magnetic Behaviors of Zr and Nb Transition Metals Doped Zinc-Blende MgSe Compound.

Published in:

Journal of Superconductivity & Novel Magnetism, 2024, v. 37, n. 3, p. 547, doi. 10.1007/s10948-023-06684-4

By:

Amahouch, A.;
Salmani, E.;
Rami, R.;
Drissi, L. B.;
Laamara, R. Ahl

Publication type:

Article

Photoelectric and Magnetic Variation of Transition Metal-Doped Monolayer TiS2: A First-Principles Calculation.

Published in:

Journal of Superconductivity & Novel Magnetism, 2024, v. 37, n. 3, p. 639, doi. 10.1007/s10948-024-06707-8

By:

Liu, Huaidong;
Yang, Lu;
Zhao, Yanshen;
Sun, Shihang;
Wei, Xingbin

Publication type:

Article

First-Principle Study of the Magnetic Properties of Fe-, Ru-, Os-, Co-, and Ni-Substituting Silicone.

Published in:

Journal of Superconductivity & Novel Magnetism, 2023, v. 36, n. 10-12, p. 1801, doi. 10.1007/s10948-023-06639-9

By:

Qian, Shaoran;
Liu, Guili;
Wei, Lin;
Su, Qing;
Zhang, Guoying

Publication type:

Article

Electronic Properties of EuRuP Skutterudite.

Published in:

Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 7, p. 2171, doi. 10.1007/s10948-015-3017-6

By:

Antúnez-García, Joel;
Núñez-González, R.;
Galván, D.;
Posada-Amarillas, Alvaro

Publication type:

Article

Spin-Fluctuation Mechanism of Superconductivity of Strongly Correlated Transition Metal Compounds with pd-Hybridization.

Published in:

Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 2, p. 297, doi. 10.1007/s10948-014-2791-x

By:

Povzner, A.;
Volkov, A.;
Golubeva, L.

Publication type:

Article

Band Structure and Quantum Oscillations in YBaCuO: A Local Spin Density Approximation with the On-Site Coulomb Interaction Study.

Published in:

2013

By:

Zemmour, Kamel;
Bendjemil, Badis;
Belbah, Ahmed

Publication type:

Letter

Ferromagnetism in Mo-doped TiO Rutile from Ab Initio Study.

Published in:

Journal of Superconductivity & Novel Magnetism, 2012, v. 25, n. 2, p. 503, doi. 10.1007/s10948-011-1317-z

By:

Lamrani, A.;
Belaiche, M.;
Benyoussef, A.;
Kenz, A.;
Saidi, E.

Publication type:

Article

Carbon Hybridization to Tight-Binding to Dirac Solid: The Wonder Laboratory of Graphene.

Published in:

Resonance: Journal of Science Education, 2020, v. 25, n. 2, p. 249, doi. 10.1007/s12045-020-0939-5

By:

Dattagupta, Sushanta

Publication type:

Article

Dramatically Enhanced Li‐Ion Storage of ZnO@C Anodes through TiO2 Homogeneous Hybridization.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 2, p. 582, doi. 10.1002/chem.201804211

By:

Liu, Zhengbo;
Ji, Shaomin;
Xu, Xijun;
Hu, Renzong;
Liu, Jiangwen;
Liu, Jun

Publication type:

Article

Synthetic Evolution of the Multifarene Cavity from Planar Predecessors.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 57, p. 15319, doi. 10.1002/chem.201803189

By:

Swamy P, Chinna Ayya;
Solel, Ephrath;
Reany, Ofer;
Keinan, Ehud

Publication type:

Article

Coumarin/BODIPY Hybridisation for Ratiometric Sensing of Intracellular Polarity Oscillation.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 29, p. 7513, doi. 10.1002/chem.201800915

By:

Bai, Yang;
Shi, Xiangchao;
Chen, Yuncong;
Zhu, Chengcheng;
Jiao, Yang;
Han, Zhong;
He, Weijiang;
Guo, Zijian

Publication type:

Article

Metal Complexes Supported on Solid Matrices for Visible-Light-Driven Molecular Transformations.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 32, p. 11122, doi. 10.1002/chem.201600441

By:

Mori, Kohsuke;
Yamashita, Hiromi

Publication type:

Article

Elucidating the effect of Pb and Ba substitution in SrTcO3 for advanced radioactive semiconducting applications.

Published in:

Optical & Quantum Electronics, 2023, v. 55, n. 7, p. 1, doi. 10.1007/s11082-023-04891-w

By:

Mubarak, A. A.;
Tariq, Saad

Publication type:

Article

Critical role of orbital hybridization in the Dzyaloshinskii-Moriya interaction of magnetic interfaces.

Published in:

Communications Physics, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42005-022-00932-0

By:

Zhu, Lijun;
Zhu, Lujun;
Ma, Xin;
Li, Xiaoqin;
Buhrman, Robert A.

Publication type:

Article

C0.12 Fe1.88 @ CNTs 的铁缺陷和碳空位电催化活性及其室温钠硫电池性能.

Published in:

Journal of South China Normal University (Natural Science Edition) / Huanan Shifan Daxue Xuebao (Ziran Kexue Ban), 2024, v. 56, n. 6, p. 58, doi. 10.6054/j.jscnun.2024077

By:

杨昌生;
张海燕

Publication type:

Article

(Hf0.25Zr0.25Ta0.25Nb0.25)C 陶瓷电子结构稳定性与力学性能的第一性原理计算.

Published in:

Journal of Shanghai University / Shanghai Daxue Xuebao, 2025, v. 31, n. 1, p. 80, doi. 10.12066/j.issn.1007-2861.2328

By:

蓝盼盼;
刘斌

Publication type:

Article

Магнетні властивості інтерфейсів наноплівкових структур на основі 3d-металів.

Published in:

Nanosistemi, Nanomateriali, Nanotehnologii, 2021, v. 19, n. 2, p. 231

By:

Дмитрієв, О. І.;
Касумов, А. М.;
Караваєва, В. М.;
Вишневська, К. О.;
Фіялка, Л. І.;
Коротков, К. А.;
Євтушенко, А. І.

Publication type:

Article

The first phosphoramide-mercury(II) complex with a Cl2Hg-OP[N(C)(C)]3 segment.

Published in:

Acta Crystallographica Section C: Structural Chemistry, 2016, v. 72, n. 3, p. 230, doi. 10.1107/S2053229616002394

By:

Saneei, Anahid;
Pourayoubi, Mehrdad;
Crochet, Aurelien;
Fromm, Katharina M.

Publication type:

Article

Investigating Layered Topological Magnetic Materials as Efficient Electrocatalysts for the Hydrogen Evolution Reaction under High Current Densities.

Published in:

Catalysts (2073-4344), 2024, v. 14, n. 10, p. 676, doi. 10.3390/catal14100676

By:

Gupta, Sanju;
Świątek, Hanna;
Sawczak, Mirosław;
Klimczuk, Tomasz;
Bogdanowicz, Robert

Publication type:

Article

Density Functional Theory Study of Mechanism of Reduction of N 2 O by CO over Fe-ZSM-5 Zeolites.

Published in:

Catalysts (2073-4344), 2024, v. 14, n. 1, p. 49, doi. 10.3390/catal14010049

By:

Yuan, Ning;
Gao, Congru;
Sun, Xiuliang;
Li, Jianwei

Publication type:

Article

Promoting Bifunctional Oxygen Catalyst Activity of Double-Perovskite-Type Cubic Nanocrystallites for Aqueous and Quasi-Solid-State Rechargeable Zinc-Air Batteries.

Published in:

Catalysts (2073-4344), 2023, v. 13, n. 10, p. 1332, doi. 10.3390/catal13101332

By:

Zhong, Yijun;
Xu, Xiaomin;
Su, Chao;
Tadé, Moses Oludayo;
Shao, Zongping

Publication type:

Article

Computational Study on the Catalytic Performance of Single-Atom Catalysts Anchored on g-CN for Electrochemical Oxidation of Formic Acid.

Published in:

Catalysts (2073-4344), 2023, v. 13, n. 1, p. 187, doi. 10.3390/catal13010187

By:

Qadeer, Abdul;
Yang, Meiqi;
Liu, Yuejie;
Cai, Qinghai;
Zhao, Jingxiang

Publication type:

Article

Construction of SrTiO 3 –LaCrO 3 Solid Solutions with Consecutive Band Structures for Photocatalytic H 2 Evolution under Visible Light Irradiation.

Published in:

Catalysts (2073-4344), 2022, v. 12, n. 10, p. 1123, doi. 10.3390/catal12101123

By:

Guan, Xiangjiu;
Zong, Shichao;
Tian, Li;
Zhang, Yazhou;
Shi, Jinwen

Publication type:

Article

Embelin, a small molecule quinone with a co-clinical power for castrate-resistant prostate cancer.

Published in:

Frontiers in Pharmacology, 2014, v. 5, p. 1, doi. 10.3389/fphar.2014.00184

By:

Poojari, Radhika J.;
Patel, Hardik J.;
Nair, Pramod C.

Publication type:

Article

Theoretical study of geometry and electronic properties of medium-sized doped clusters Li2Bn0/− (n = 1–12).

Published in:

European Physical Journal D (EPJ D), 2023, v. 77, n. 6, p. 1, doi. 10.1140/epjd/s10053-023-00668-8

By:

Wang, Ying Ying;
Yuan, Yu Quan;
Li, Yuan Yuan;
Yang, Hang;
Gao, Jia Hui;
Chen, Guo Li;
Hu, Yan Fei;
Yang, Jing

Publication type:

Article

Nano-crumples induced Sn-Bi bimetallic interface pattern with moderate electron bank for highly efficient CO2 electroreduction.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-29861-w

By:

Ren, Bohua;
Wen, Guobin;
Gao, Rui;
Luo, Dan;
Zhang, Zhen;
Qiu, Weibin;
Ma, Qianyi;
Wang, Xin;
Cui, Yi;
Ricardez–Sandoval, Luis;
Yu, Aiping;
Chen, Zhongwei

Publication type:

Article

Multihybridization for Enhancing Fe‐Ni Bimetal Electrocatalyst in Water Oxidation.

Published in:

Advanced Energy Materials, 2025, v. 15, n. 13, p. 1, doi. 10.1002/aenm.202403464

By:

Zhang, Hongyan;
Zhou, Hao;
Wang, Hua;
Wang, Yikai;
Yang, Xuehan;
Wu, Dan;
Yuan, Pan;
He, Maoshuai;
Wei, Wenxian;
Yang, Tao

Publication type:

Article

Beyond Cation Disorder: Site Symmetry‐Tuned Optoelectronic Properties of the Ternary Nitride Photoabsorber ZrTaN3.

Published in:

Advanced Energy Materials, 2024, v. 14, n. 42, p. 1, doi. 10.1002/aenm.202402540

By:

Sirotti, Elise;
Wagner, Laura I.;
Jiang, Chang‐Ming;
Eichhorn, Johanna;
Munnik, Frans;
Streibel, Verena;
Schilcher, Maximilian J.;
März, Benjamin;
Hegner, Franziska S.;
Kuhl, Matthias;
Höldrich, Theresa;
Müller‐Caspary, Knut;
Egger, David A.;
Sharp, Ian D.

Publication type:

Article