المؤلفون: Manzi E. C., Stamatakis M., Di Liberto G., Pacchioni G.

المساهمون: Manzi, E, Stamatakis, M, Di Liberto, G, Pacchioni, G

مصطلحات موضوعية: Density functional theory, Dihydrogen complexe, Hydrogen adsorption, Kinetic Monte Carlo, Single atom alloy

وصف الملف: STAMPA

Relation: volume:754; issue:April 2025; journal:SURFACE SCIENCE; https://hdl.handle.net/10281/535161

الاتاحة: https://hdl.handle.net/10281/535161
https://doi.org/10.1016/j.susc.2024.122688

المؤلفون: Haisong Feng, Wei Liu, Lei Wang, Enze Xu, Donghui Pang, Zhen Ren, Si Wang, Shiquan Zhao, Yuan Deng, Tianyong Liu, Yusen Yang, Xin Zhang, Feng Li, Min Wei

المصدر: Advanced Science, Vol 11, Iss 23, Pp n/a-n/a (2024)

مصطلحات موضوعية: catalysts designed, density functional theory, host–guest metal interactions, selective hydrogenation, single‐atom alloy catalysts, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2198-3844

URL الوصول: https://doaj.org/article/560a00d681344449862f5a54499b46f4

المؤلفون: Dashuai Wang, Runfeng Cao, Shaogang Hao, Chen Liang, Guangyong Chen, Pengfei Chen, Yang Li, Xiaolong Zou

المصدر: Green Energy & Environment, Vol 8, Iss 3, Pp 820-830 (2023)

مصطلحات موضوعية: Cu-based single-atom alloy, CO adsorption, Machine learning, First principles, CO2 reduction reaction, Renewable energy sources, TJ807-830, Ecology, QH540-549.5

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2468025721001710; https://doaj.org/toc/2468-0257

URL الوصول: https://doaj.org/article/7969fe2ed02c4f968d53197a0fbd1803

المؤلفون: Konstantin M. Neyman, Pere Alemany

المصدر: Nanomaterials, Vol 14, Iss 15, p 1242 (2024)

مصطلحات موضوعية: magnetic bimetallic nanoparticles, chemical ordering, density functional calculations, single-atom alloy catalysts, CO adsorption, C-O vibrational frequencies, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2079-4991/14/15/1242; https://doaj.org/toc/2079-4991

URL الوصول: https://doaj.org/article/0d0a11cd2c984982a1d18c9c35b1a9d3

المؤلفون: Ibrahim, Hanan H., Weckman, Timo, Murzin, Dmitry Yu, Honkala, Karoliina

المصدر: Ibrahim , H H , Weckman , T , Murzin , D Y & Honkala , K 2024 , ' Understanding selective hydrogenation of phenylacetylene on PdAg single atom alloy : DFT insights on molecule size and surface ensemble effects ' , Journal of Catalysis , vol. 434 , 115523 . https://doi.org/10.1016/j.jcat.2024.115523

مصطلحات موضوعية: Density functional theory, PdAg, Phenylacetylene, Single atom alloy

وصف الملف: application/pdf

الاتاحة: https://research.abo.fi/en/publications/ce70b192-c53d-4a6e-9c39-8bca65025177
https://doi.org/10.1016/j.jcat.2024.115523
https://research.abo.fi/ws/files/65791815/1-s2.0-S0021951724002367-main.pdf
http://www.scopus.com/inward/record.url?scp=85192163470&partnerID=8YFLogxK
https://urn.fi/URN:NBN:fi-fe202501226156

المؤلفون: Ibrahim, Hanan H., Weckman, Timo, Murzin, Dmitry Yu., Honkala, Karoliina

مصطلحات موضوعية: density functional theory, single atom alloy, PdAg, phenylacetylene, katalyysi, tiheysfunktionaaliteoria, kemialliset reaktiot, katalyytit

وصف الملف: application/pdf; fulltext

Relation: Journal of Catalysis; 434; 7071/31/2021; 329977; 5482-2a4a9; https://doi.org/10.23729/4fb60b0f-fe7b-4337-b5b0-af3a13f11b6d; Business Finland; Research Council of Finland; Jane and Aatos Erkko Foundation; Suomen Akatemia; Jane ja Aatos Erkon säätiö; Ibrahim, H. H., Weckman, T., Murzin, D. Y., & Honkala, K. (2024). Understanding selective hydrogenation of phenylacetylene on PdAg single atom alloy : DFT insights on molecule size and surface ensemble effects. Journal of Catalysis , 434 , Article 115523. https://doi.org/10.1016/j.jcat.2024.115523; CONVID_213695777

الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202405223801

المؤلفون: Jiahao Zhuang, Dingsheng Wang

المصدر: Materials Today Catalysis, Vol 2, Iss , Pp 100009- (2023)

مصطلحات موضوعية: Electrocatalysis, Single-atom alloy catalysts, Synthetic methods, Structure-activity relationship, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2949754X23000091; https://doaj.org/toc/2949-754X

URL الوصول: https://doaj.org/article/e8e6fbbc4b9d4987aa1998b6a6f1c053

المؤلفون: Qiu Jiang, Yuan Ji, Tingting Zheng, Xu Li, Chuan Xia

المصدر: Next Energy, Vol 1, Iss 3, Pp 100033- (2023)

مصطلحات موضوعية: Electrocatalysis, Single-atom Alloy, CO2 reduction, Atomic interfaces, Energy industries. Energy policy. Fuel trade, HD9502-9502.5, Renewable energy sources, TJ807-830

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2949821X23000327; https://doaj.org/toc/2949-821X

URL الوصول: https://doaj.org/article/cd3e44b914bf4bc398ae3d6f860eca93

المؤلفون: Loy, Adrian Chun Minh, Teng, Sin Yong, How, Bing Shen, Zhang, Xixia, Cheah, Ken Wai, Butera, Valeria, Leong, Wei Dong, Chin, Bridgid Lai Fui, Yiin, Chung Loong, Taylor, Martin J., Kyriakou, Georgios

مصطلحات موضوعية: Single atom catalyst, Single atom alloy, Value-added chemicals, Non-noble metals, Sustainable energy production

وصف الملف: text; 1-55; application/pdf

Relation: PROGRESS IN ENERGY AND COMBUSTION SCIENCE; https://www.sciencedirect.com/science/article/pii/S0360128523000047; PROGRESS IN ENERGY AND COMBUSTION SCIENCE. 2023, vol. 96, issue 5, p. 1-55.; 183774; http://hdl.handle.net/11012/213678; orcid:0000-0002-2988-8053; orcid:0000-0002-4344-8118

الاتاحة: http://hdl.handle.net/11012/213678
https://doi.org/10.1016/j.pecs.2023.101074

المؤلفون: Islam, Mohammed J., Granollers Mesa, Marta, Osatiashtiani, Amin, Taylor, Martin J., Isaacs, Mark A., Kyriakou, Georgios

مصطلحات موضوعية: Single atom alloy, Single atom catalysts, PdCu, Hydrogenation, Crotonaldehyde

Relation: https://hull-repository.worktribe.com/output/4270188; Nanomaterials; Volume 13; Issue 8; https://hull-repository.worktribe.com/file/4270188/1/Published%20article

الاتاحة: https://hull-repository.worktribe.com/file/4270188/1/Published%20article
https://hull-repository.worktribe.com/output/4270188
https://doi.org/10.3390/nano13081434

المؤلفون: Islam, Mohammed J, Granollers Mesa, Marta, Osatiashtiani, Amin, Taylor, Martin J, Isaacs, Mark A, Kyriakou, Georgios

المصدر: Nanomaterials , 13 (8) , Article 1434. (2023)

مصطلحات موضوعية: single atom alloy, single atom catalysts, PdCu, hydrogenation, crotonaldehyde

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10168989/1/nanomaterials-13-01434-v3.pdf; https://discovery.ucl.ac.uk/id/eprint/10168989/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10168989/1/nanomaterials-13-01434-v3.pdf
https://discovery.ucl.ac.uk/id/eprint/10168989/

المؤلفون: Pavel V. Markov, Galina O. Bragina, Nadezhda S. Smirnova, Galina N. Baeva, Igor S. Mashkovsky, Evgeny Y. Gerasimov, Andrey V. Bukhtiyarov, Yan. V. Zubavichus, Alexander Y. Stakheev

المصدر: Inorganics; Volume 11; Issue 4; Pages: 150

مصطلحات موضوعية: single-atom alloy catalyst, isolated Pd 1 sites, liquid-phase hydrogenation, alkynes, diphenylacetylene, cerium–zirconium carrier, palladium–silver

وصف الملف: application/pdf

Relation: Inorganic Solid-State Chemistry; https://dx.doi.org/10.3390/inorganics11040150

الاتاحة: https://doi.org/10.3390/inorganics11040150

المؤلفون: Minghao Hua, Xuelei Tian, Shuo Li, Xiaohang Lin

المصدر: Nanomaterials; Volume 12; Issue 11; Pages: 1802

مصطلحات موضوعية: oxygen reduction reaction, DFT calculation, PdAg/Ag(111) surface alloy, single-atom alloy, efficient catalyst

وصف الملف: application/pdf

Relation: Synthesis, Interfaces and Nanostructures; https://dx.doi.org/10.3390/nano12111802

الاتاحة: https://doi.org/10.3390/nano12111802

المؤلفون: Murzin, DY

المصدر: Murzin , DY 2022 , ' Kinetics of Heterogeneous Single-Site Catalysis ' , ChemCatChem . https://doi.org/10.1002/cctc.202201082

مصطلحات موضوعية: Reaction kinetics, Single atom alloy, Single-site catalysis, Zeolites

وصف الملف: application/pdf

Relation: https://research.abo.fi/en/publications/14c16cc5-6da5-4d86-8c75-cfe115603115

الاتاحة: https://research.abo.fi/en/publications/14c16cc5-6da5-4d86-8c75-cfe115603115
https://doi.org/10.1002/cctc.202201082
https://research.abo.fi/ws/files/49256256/single_atom_kinetics_rev_sed_II.pdf
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=aboakademi&SrcAuth=WosAPI&KeyUT=WOS:000898848300001&DestLinkType=FullRecord&DestApp=WOS
https://urn.fi/URN:NBN:fi-fe202401011019

المؤلفون: Taylor D. Spivey (11198010), Adam Holewinski (1365243)

مصطلحات موضوعية: Biophysics, Medicine, Evolutionary Biology, Cancer, Science Policy, Computational Biology, Space Science, Chemical Sciences not elsewhere classified, exhibit, phenomenon, selectivity control, regime, orbital, SAA, activation pathways, strategy, alloying, aldehyde, chemical manufacturing, Selective Interactions, catalysi, component, bimetallic, Near-Frontier Molecular Orbitals, crotonaldehyde, single-atom, Single-Atom Alloy Catalysts, accordance, analysis, constituent metal wave functions

Relation: https://figshare.com/articles/journal_contribution/Selective_Interactions_between_Free-Atom-like_i_d_i_States_in_Single-Atom_Alloy_Catalysts_and_Near-Frontier_Molecular_Orbitals/15067881

الاتاحة: https://doi.org/10.1021/jacs.1c04234.s001

المؤلفون: Michael J. Cordon (5873192), Junyan Zhang (532480), Stephen C. Purdy (5077367), Evan C. Wegener (3113250), Kinga A. Unocic (1489990), Lawrence F. Allard (1272714), Mingxia Zhou (1554676), Rajeev S. Assary (1283331), Jeffrey T. Miller (1359465), Theodore R. Krause (10922798), Fan Lin (625737), Huamin Wang (143068), A. Jeremy Kropf (1440607), Ce Yang (2040601), Dongxia Liu (1708921), Zhenglong Li (3376274)

مصطلحات موضوعية: Biochemistry, Molecular Biology, Biotechnology, Evolutionary Biology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Y metal sites catalyze ethanol, SAA catalyst application area, monometallic Pt surfaces, hydrogenation reactivity, butadiene reaction orders, Single-Atom Alloy Composite Catalysts, multifunctional catalyst system, C 2 platform chemicals, Y Lewis acid sites, hydrogen scission barriers, cofed hydrogen, ETB, ETO, hydrogen cofeeding requirements, 3.1 kPa ethanol, low-carbon middle-distillate transp., DFT, Zn, butene isomers, Br ønsted acidic Y sites, butene hydrogenation reactions, Selective Butene Formation

Relation: https://figshare.com/articles/journal_contribution/Selective_Butene_Formation_in_Direct_Ethanol-to_C_sub_3_sub_-Olefin_Valorization_over_Zn_Y_Beta_and_Single-Atom_Alloy_Composite_Catalysts_Using_In_Situ-Generated_Hydrogen/14731133

الاتاحة: https://doi.org/10.1021/acscatal.1c01136.s001

المؤلفون: Ge Meng (545207), Jiaqiang Sun (176863), Lei Tao (422964), Kaiyue Ji (4710552), Pengfei Wang (123133), Yu Wang (12152), Xiaohui Sun (520181), Tingting Cui (564531), Shixuan Du (1511089), Jiangang Chen (1443679), Dingsheng Wang (1630807), Yadong Li (317794)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Developmental Biology, Chemical Sciences not elsewhere classified, Ru single-atom sites, Ru atoms, Ru 1 Co n single-atom alloy, single-atom Ru, rate-limiting barriers, long-chain hydrocarbon selectivity, Fermi level, biomass-derived syngas, Co nanoparticle surface, FTS reaction, CO, DFT, reaction temperature, catalyst, FTS performance, Ru 1 Co n SAA, confinement strategy, Co surfaces, chain growth processes, C 5

Relation: https://figshare.com/articles/journal_contribution/Ru_sub_1_sub_Co_i_sub_n_sub_i_Single-Atom_Alloy_for_Enhancing_Fischer_Tropsch_Synthesis/13656034

الاتاحة: https://doi.org/10.1021/acscatal.0c04162.s001

المؤلفون: Alexander V. Rassolov, Igor S. Mashkovsky, Galina N. Baeva, Galina O. Bragina, Nadezhda S. Smirnova, Pavel V. Markov, Andrey V. Bukhtiyarov, Johan Wärnå, Alexander Yu. Stakheev, Dmitry Yu. Murzin

المصدر: Nanomaterials; Volume 11; Issue 12; Pages: 3286

مصطلحات موضوعية: single-atom alloy catalyst, alkyne, alkene selectivity, hydrogenation, 1-phenyl-1-propyne, kinetic modeling

وصف الملف: application/pdf

Relation: Energy and Catalysis; https://dx.doi.org/10.3390/nano11123286

الاتاحة: https://doi.org/10.3390/nano11123286

المؤلفون: Mikhail Mamatkulov, Ilya Yudanov, Andrey Bukhtiyarov, Konstantin Neyman

المصدر: Nanomaterials; Volume 11; Issue 1; Pages: 122

مصطلحات موضوعية: bimetallic nanoparticles, chemical ordering, density functional calculations, single-atom alloy catalysts

وصف الملف: application/pdf

Relation: https://dx.doi.org/10.3390/nano11010122

الاتاحة: https://doi.org/10.3390/nano11010122

المؤلفون: Wataru Osada, Masahiro Hasegawa, Yuichiro Shiozawa, Kozo Mukai, Shinya Yoshimoto, Shunsuke Tanaka, Mitsuaki Kawamura, Taisuke Ozaki, Jun Yoshinobu

مصطلحات موضوعية: Formic acid, Single atom alloy catalyst, HR-XPS, DFT

الاتاحة: https://doi.org/10.57760/sciencedb.14315