Works matching DE "ATOMIC clusters"

Results: 415

Atomic Cluster Outperforms Single Atom in Hydrogen Evolution and Hydrazine Oxidation for Energy‐Efficient Water Splitting.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 19, p. 1, doi. 10.1002/adfm.202422634

By:

Liu, Chunhua;
Wu, Shuwen;
Yang, Yang;
Wei, Jinshan;
Chen, Shujing;
Sun, Xiao‐Qing;
Luo, Shuiping;
Hussain, Muhammad Bilal;
Feng, Renfei;
Fu, Xian‐Zhu;
Liu, Shao‐Qing;
Luo, Jing‐Li

Publication type:

Article

Modeling extensive defects in metals through classical potential-guided sampling and automated configuration reconstruction.

Published in:

NPJ Computational Materials, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41524-025-01599-1

By:

Shuang, Fei;
Liu, Kai;
Ji, Yucheng;
Gao, Wei;
Laurenti, Luca;
Dey, Poulumi

Publication type:

Article

Dynamic Catalytic Structures of Single‐Atom (or Cluster) Catalysts: A Perspective Review.

Published in:

Small Structures, 2025, v. 6, n. 5, p. 1, doi. 10.1002/sstr.202400479

By:

Li, Zesheng;
Li, Bolin;
Yu, Changlin

Publication type:

Article

Activation and reaction mechanism of nano‐aluminized explosives under shock wave.

Published in:

Propellants, Explosives, Pyrotechnics, 2024, v. 49, n. 7, p. 1, doi. 10.1002/prep.202300318

By:

Wang, Zhandong;
Xiao, Chuan;
Chen, Fang;
Wang, Shuang;
Zhang, Liangliang;
Chu, Qingzhao

Publication type:

Article

Ionic‐Liquid Synthesis of Atomic Molybdenum Nitride Clusters as Bifunctional Oxygen Reduction and Evolution Reactions Electrocatalysts for Alkaline Zn–Air Battery.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 11, p. 1, doi. 10.1002/chem.202403706

By:

Wang, Nannan;
Li, Jing;
Hei, Jinpei;
Chen, Xiaodong;
Yin, Xiaojie;
Yin, Yanjun;
Kong, Yaqiong;
Cui, Lifeng

Publication type:

Article

Probing Basal and Prismatic Planes of Graphitic Materials for Metal Single Atom and Subnanometer Cluster Stabilization.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 50, p. 1, doi. 10.1002/chem.202400669

By:

Vidal, Mathieu;
Pandey, Jyoti;
Navarro‐Ruiz, Javier;
Langlois, Joris;
Tison, Yann;
Yoshii, Takeharu;
Wakabayashi, Keigo;
Nishihara, Hirotomo;
Frenkel, Anatoly I.;
Stavitski, Eli;
Urrutigoïty, Martine;
Campos, Cristian H.;
Godard, Cyril;
Placke, Tobias;
del Rosal, Iker;
Gerber, Iann C.;
Petkov, Valeri;
Serp, Philippe

Publication type:

Article

Synthesis and functionalities of FeSn12 superatom prepared by single atom introduction with a dendrimer template.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 20, p. 1, doi. 10.1002/chem.202400060

By:

Muramatsu, Hisanori;
Kambe, Tetsuya;
Tsukamoto, Takamasa;
Kuzume, Akiyoshi;
Hosono, Reina;
Imaoka, Takane;
Yamamoto, Kimihisa

Publication type:

Article

Construction of a Diverse Range of Boron Heterocycles via Ring Expansion of a Carboranyl‐Substituted 9‐Borafluorene.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 27, p. 1, doi. 10.1002/chem.202300210

By:

Bischof, Tobias;
Beßler, Lukas;
Krummenacher, Ivo;
Erhard, Leon;
Braunschweig, Holger;
Finze, Maik

Publication type:

Article

Hexagonal Bipyramidal [Ta2B6 ]−/0 Clusters: B6 Rings as Structural Motifs.

Published in:

Angewandte Chemie, 2014, v. 126, n. 5, p. 1312, doi. 10.1002/ange.201309469

By:

Li, Wei ‐ Li;
Xie, Lu;
Jian, Tian;
Romanescu, Constantin;
Huang, Xin;
Wang, Lai ‐ Sheng

Publication type:

Article

The blue fluorescence luminescence properties of hyperbranched polysiloxane containing halogen atom.

Published in:

Polymer International, 2023, v. 72, n. 11, p. 1038, doi. 10.1002/pi.6551

By:

Jia, Yuan;
Ma, Huan;
Yang, Juxiang;
Ma, Mingyang

Publication type:

Article

Investigations into effect of tool rake angle on nanocutting process for Zr-based amorphous alloy by molecular dynamics simulation.

Published in:

International Journal of Advanced Manufacturing Technology, 2023, v. 127, n. 1/2, p. 211, doi. 10.1007/s00170-023-11533-8

By:

Cui, Xiaoqing;
Liu, Yin;
Sun, Xingwei;
Gong, Yadong;
Dong, Zhixu;
Yang, Heran;
Yuan, Zewei;
Liu, Weijun

Publication type:

Article

Janus behavior of Au atoms interacting with fluorine.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2023, v. 142, n. 1, p. 1, doi. 10.1007/s00214-022-02946-x

By:

Banjade, Huta;
Shah, Aaron;
Jena, Puru

Publication type:

Article

Effects of multi-atom doping into Pt13 cluster using Ab initio method.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 10, p. 1, doi. 10.1007/s00214-022-02908-3

By:

Arunachalam, B.;
Manavalan, R.;
Gopalakrishnan, N.

Publication type:

Article

The ethanol–metal interaction in bimetallic clusters of Pt and Rh.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 3, p. 1, doi. 10.1007/s00214-022-02877-7

By:

Radael, Graziela N.;
Martinelli, Vinicius;
Pontes, Rodrigo M.

Publication type:

Article

Taking the multiplicity inside the loop: active learning for structural and spin multiplicity elucidation of atomic clusters.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 8, p. 1, doi. 10.1007/s00214-021-02820-2

By:

Lourenço, Maicon Pierre;
Herrera, Lizandra Barrios;
Hostaš, Jiří;
Calaminici, Patrizia;
Köster, Andreas M.;
Tchagang, Alain;
Salahub, Dennis R.

Publication type:

Article

A new active learning approach for global optimization of atomic clusters.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 6, p. 1, doi. 10.1007/s00214-021-02766-5

By:

Lourenço, Maicon Pierre;
Galvão, Breno R. L.;
Barrios Herrera, Lizandra;
Hostaš, Jiří;
Tchagang, Alain;
Silva, Mateus X.;
Salahub, Dennis R.

Publication type:

Article

Short communication: Nanoscale heterogeneity of U and Pb in baddeleyite from atom probe tomography – 238U series alpha recoil effects and U atom clustering.

Published in:

Geochronology, 2024, v. 6, n. 4, p. 607, doi. 10.5194/gchron-6-607-2024

By:

Denyszyn, Steven;
Davis, Donald W.;
Fougerouse, Denis

Publication type:

Article

Synergistic Catalysis of Rh Single‐Atom and Clusters Supported on TiO2 Nanosheet Array for Highly Efficient Removal of CO and NOx.

Published in:

Small Structures, 2024, v. 5, n. 11, p. 1, doi. 10.1002/sstr.202400230

By:

Yang, Liu;
Wang, Junchao;
Liu, Tingting;
He, Hanze;
Li, Xinyu;
Zhang, Xinglai;
Li, Jing;
Li, Song;
Liu, Baodan

Publication type:

Article

Planar NbnOm Clusters on the Au(111) Surface.

Published in:

Small Structures, 2023, v. 4, n. 12, p. 1, doi. 10.1002/sstr.202300141

By:

Wang, Shuqiu;
Zhu, Yuhan;
Van den Bossche, Maxime;
Goniakowski, Jacek;
Noguera, Claudine;
Castell, Martin R.

Publication type:

Article

Oxidative reactivity of alkali-like superatoms of group 5 metal-encapsulating Si16 cage nanoclusters.

Published in:

Communications Chemistry, 2018, v. 1, n. 1, p. N.PAG, doi. 10.1038/s42004-018-0052-9

By:

Shibuta, Masahiro;
Kamoshida, Toshiaki;
Ohta, Tsutomu;
Tsunoyama, Hironori;
Nakajima, Atsushi

Publication type:

Article

CO2 electroreduction by AuCu bimetallic clusters: A first principles study.

Published in:

International Journal of Energy Research, 2021, v. 45, n. 13, p. 18684, doi. 10.1002/er.7007

By:

Liang, Xingyou;
Ren, Xuefeng;
Guo, Mingmin;
Li, Yanqiang;
Xiong, Wei;
Guan, Weixin;
Gao, Liguo;
Liu, Anmin

Publication type:

Article

Phase segregation and surface properties in liquid Ga-Tl alloys predicted by modified self-association model.

Published in:

Metallic Materials / Kovové Materiály, 2024, v. 62, n. 3, p. 159, doi. 10.31577/km.2024.3.159

By:

Guo-Hua Ding;
Da-Wei Feng;
Shu-Li Ma;
Li-Meng Liang

Publication type:

Article

Geometries and Electronic Properties of Transition Metal Hafnium-Doped Boron Clusters: A Computational Investigation.

Published in:

Polycyclic Aromatic Compounds, 2016, v. 36, n. 3, p. 252, doi. 10.1080/10406638.2014.970292

By:

Zhao, Run-Ning;
Yuan, Yanhong;
Han, Ju-Guang

Publication type:

Article

Effects of the Heating-up Atmosphere on the Nucleation of Graphene on Copper Foils.

Published in:

Integrated Ferroelectrics, 2021, v. 221, n. 1, p. 33, doi. 10.1080/10584587.2020.1728635

By:

Shi, Yonggui;
Wang, Yunwei;
Bai, Min;
Ren, Yang;
Sang, Zhaojun

Publication type:

Article

The Surface-Enhanced Raman Spectroscopy of Graphene Deposited by Silver Nanoparticle Islands.

Published in:

Integrated Ferroelectrics, 2013, v. 147, n. 1, p. 90, doi. 10.1080/10584587.2013.792207

By:

Zhang, Duan;
Wang, Peijie;
Fang, Yan

Publication type:

Article

Emission Spectra of Molecular Gases CHF3, CCl2F2, SF6 in the Range 3–20 nm under Pulsed Laser Excitation Using Various Gas Jets as Targets.

Published in:

Optics & Spectroscopy, 2023, v. 131, n. 6, p. 391, doi. 10.1134/S0030400X23020091

By:

Guseva, V. E.;
Nechay, A. N.;
Perekalov, A. A.;
Salashchenko, N. N.;
Chkhalo, N. I.

Publication type:

Article

Dynamical Collective Excitations and Entanglement of Two Strongly Correlated Rydberg Superatoms.

Published in:

Photonics, 2022, v. 9, n. 4, p. N.PAG, doi. 10.3390/photonics9040242

By:

Yan, Dong;
Bai, Wenjie;
Bai, Jiannan;
Chen, Li;
Han, Haiyan;
Wu, Jinhui

Publication type:

Article

Spin switching: From quantum to quasiclassical approach.

Published in:

Physica Status Solidi (B), 2014, v. 251, n. 9, p. 1764, doi. 10.1002/pssb.201350225

By:

Chudnovskiy, A.;
Hübner, Ch.;
Baxevanis, B.;
Pfannkuche, D.

Publication type:

Article

Development of scalable and generalizable machine learned force field for polymers.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-43804-5

By:

Mohanty, Shaswat;
Stevenson, James;
Browning, Andrea R.;
Jacobson, Leif;
Leswing, Karl;
Halls, Mathew D.;
Afzal, Mohammad Atif Faiz

Publication type:

Article

Modeling of surface phenomena of liquid Al–Ni alloys using molecular dynamics.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-31844-w

By:

Juárez, Hadassa;
Yousefi, Ensieh;
Kunwar, Anil;
Sun, Youqing;
Guo, Muxing;
Moelans, Nele;
Seveno, David

Publication type:

Article

Why alkali metals and alkaline earth metals are not loaded the metal–organic frameworks.

Published in:

Research on Chemical Intermediates, 2024, v. 50, n. 5, p. 2383, doi. 10.1007/s11164-024-05259-9

By:

Zhao, Zhen;
Yang, Shu-qi;
Yin, Jia-hui;
Li, Zhi

Publication type:

Article

Structures, electronic and magnetic properties of the FexNy (x = 1–4, y = 1–4) adsorbed graphene.

Published in:

Research on Chemical Intermediates, 2022, v. 48, n. 10, p. 4391, doi. 10.1007/s11164-022-04823-5

By:

Li, Zhi;
Wu, Zi-Hao;
Zhao, Zhen

Publication type:

Article

Polyaniline Electrodes Containing Tri-Atomic Au/Pd Clusters: Effect of Ordering.

Published in:

Catalysis Letters, 2013, v. 143, n. 12, p. 1261, doi. 10.1007/s10562-013-1116-1

By:

Jonke, Alex P.;
Josowicz, Mira;
Janata, Jiří

Publication type:

Article

Atomic Clusters of Pd and AuPd in Polyaniline.

Published in:

Catalysis Letters, 2013, v. 143, n. 6, p. 531, doi. 10.1007/s10562-013-1005-7

By:

Jonke, Alex;
Steeb, Jennifer;
Josowicz, Mira;
Janata, Jiří

Publication type:

Article

Phase-engineered synthesis of atomically thin te single crystals with high on-state currents.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45940-6

By:

Zhou, Jun;
Zhang, Guitao;
Wang, Wenhui;
Chen, Qian;
Zhao, Weiwei;
Liu, Hongwei;
Zhao, Bei;
Ni, Zhenhua;
Lu, Junpeng

Publication type:

Article

Phase-engineered synthesis of atomically thin te single crystals with high on-state currents.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-45940-6

By:

Zhou, Jun;
Zhang, Guitao;
Wang, Wenhui;
Chen, Qian;
Zhao, Weiwei;
Liu, Hongwei;
Zhao, Bei;
Ni, Zhenhua;
Lu, Junpeng

Publication type:

Article

Probing the atomically diffuse interfaces in Pd@Pt core-shell nanoparticles in three dimensions.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-38536-z

By:

Li, Zezhou;
Xie, Zhiheng;
Zhang, Yao;
Mu, Xilong;
Xie, Jisheng;
Yin, Hai-Jing;
Zhang, Ya-Wen;
Ophus, Colin;
Zhou, Jihan

Publication type:

Article

'Colloidal Silver': Recommendations to Remove This Misleading Term for Describing Nanoparticulate Silver Antimicrobial Agents.

Published in:

Pharmacognosy Communications, 2017, v. 7, n. 2, p. 98, doi. 10.5530/pc.2017.2.14

By:

Laroo, Hans;
Whitehouse, Michael

Publication type:

Article

Transition Metal Carbonitride MXenes Anchored with Pt Sub-Nanometer Clusters to Achieve High-Performance Hydrogen Evolution Reaction at All pH Range.

Published in:

Nano-Micro Letters, 2025, v. 17, n. 1, p. 1, doi. 10.1007/s40820-025-01654-y

By:

Lei, Zhihao;
Ali, Sajjad;
Sathish, CI;
Ahmed, MuhammadIbrar;
Qu, Jiangtao;
Zheng, Rongkun;
Xi, Shibo;
Yu, Xiaojiang;
Breese, M. B. H.;
Liu, Chao;
Zhang, Jizhen;
Qi, Shuai;
Guan, Xinwei;
Perumalsamy, Vibin;
Fawaz, Mohammed;
Yang, Jae-Hun;
Bououdina, Mohamed;
Domen, Kazunari;
Vinu, Ajayan;
Qiao, Liang

Publication type:

Article

Advances of Synergistic Electrocatalysis Between Single Atoms and Nanoparticles/Clusters.

Published in:

Nano-Micro Letters, 2024, v. 16, n. 1, p. 1, doi. 10.1007/s40820-024-01463-9

By:

Luo, Guanyu;
Song, Min;
Zhang, Qian;
An, Lulu;
Shen, Tao;
Wang, Shuang;
Hu, Hanyu;
Huang, Xiao;
Wang, Deli

Publication type:

Article

Structure, dynamics and melting of 19-atom double icosahedral silver cluster.

Published in:: International Journal of Modern Physics C: Computational Physics & Physical Computation, 2022, v. 33, n. 11, p. 1, doi. 10.1142/S0129183122501509
Publication type:: Article

Structural and dynamical properties of 13-atom Cu–Co mixed clusters.

Published in:: International Journal of Modern Physics C: Computational Physics & Physical Computation, 2022, v. 33, n. 6, p. 1, doi. 10.1142/S0129183122500723
Publication type:: Article

Introducing KICK-MEP: exploring potential energy surfaces in systems with significant non-covalent interactions.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 11, p. 1, doi. 10.1007/s00894-024-06155-0

By:

García-Argote, Williams;
Ruiz, Lina;
Inostroza, Diego;
Cardenas, Carlos;
Yañez, Osvaldo;
Tiznado, William

Publication type:

Article

Magnetism and electronic properties of ConMoP (n = 1 ~ 5) cluster: a DFT study.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 5, p. 1, doi. 10.1007/s00894-024-05938-9

By:

Wu, Tinghui;
Fang, Zhigang;
Song, Jingli;
Liu, Li'e;
Song, Jia

Publication type:

Article

Investigation of dislocation and twinning behavior in HMX under high-velocity impact employing molecular dynamics simulations.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 2, p. 1, doi. 10.1007/s00894-024-05851-1

By:

Yang, Can-shu;
Zhang, Shu-hai

Publication type:

Article

Density functional theory studies on properties of cluster ConMoS (n=1 ~ 5): interatomic interactions, electronic properties, frontier orbitals.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 10, p. 1, doi. 10.1007/s00894-023-05730-1

By:

Wang, Zhi-yao;
Fang, Zhi-gang;
Liu, Li-e;
Wu, Ting-hui

Publication type:

Article

Theoretical study of the binding mechanism between anticancerous drug mercaptopurine and gold nanoparticles using a cluster model.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 10, p. 1, doi. 10.1007/s00894-023-05716-z

By:

Huyen, Duong Thi;
Bui, Thanh Q.;
Si, Nguyen Thanh;
Nhat, Pham Vu;
Quy, Phan Tu;
Nhung, Nguyen Thi Ai

Publication type:

Article

Stability, electronic and catalytic properties of ConMoP(n = 1 ~ 5) clusters: A DFT study.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 8, p. 1, doi. 10.1007/s00894-023-05675-5

By:

Wu, Tinghui;
Fang, Zhigang;
Wang, Zhiyao;
Liu, Li'e;
Song, Jingli;
Song, Jia

Publication type:

Article

Structures and optical properties of zinc oxide nanoclusters: a combined experimental and theoretical approach.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 8, p. 1, doi. 10.1007/s00894-023-05641-1

By:

Orek, Cahit;
Keser, Serhat;
Kaygili, Omer;
Zuchowski, Piotr;
Bulut, Niyazi

Publication type:

Article

Revisiting the trapping of noble gases (He–Kr) by the triatomic H3+ and Li3+ species: a density functional reactivity theory study.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 5, p. 1, doi. 10.1007/s00894-022-05099-7

By:

He, Xin;
Guo, Chunna;
Li, Meng;
Zhong, Shujing;
Wan, Xinjie;
Rong, Chunying;
Chattaraj, Pratim K.;
Zhao, Dongbo

Publication type:

Article