Search Results - "Surface science"

On the wrong assignment of the XPS O1s signal at 531–532 eV attributed to oxygen vacancies in photo- and electro-catalysts for water splitting and other materials applications by Idriss, Hicham

“…•A large number of articles are wrongly attributing an XPS O1s signal at about 531–532 eV to oxygen vacancies.•The signal attributed to oxygen vacancies is…”
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A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals by Wellendorff, Jess, Silbaugh, Trent L., Garcia-Pintos, Delfina, Nørskov, Jens K., Bligaard, Thomas, Studt, Felix, Campbell, Charles T.

“…We present a literature collection of experimental adsorption energies over late transition metal surfaces for systems where we believe the energy measurements…”
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An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces by Dickens, Colin F., Montoya, Joseph H., Kulkarni, Ambarish R., Bajdich, Michal, Nørskov, Jens K.

“…•Adsorbed oxygen's electronic structure is a fingerprint for its reactivity.•A single correlation spans metal and metal-oxide surfaces.•The d-band model…”
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Theoretical insights into the hydrogen evolution activity of layered transition metal dichalcogenides by Tsai, Charlie, Chan, Karen, Nørskov, Jens K., Abild-Pedersen, Frank

“…A thermodynamic descriptor-based approach using density functional theory calculations was used to investigate the activity and stability of 26 different…”
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CO-CO coupling on Cu facets: Coverage, strain and field effects by Sandberg, Robert B., Montoya, Joseph H., Chan, Karen, Nørskov, Jens K.

“…We present a DFT study on the effect of coverage, strain, and electric field on CO-CO coupling energetics on Cu (100), (111), and (211). Our calculations…”
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Anisotropic work function of elemental crystals by Tran, Richard, Li, Xiang-Guo, Montoya, Joseph H., Winston, Donald, Persson, Kristin Aslaug, Ong, Shyue Ping

“…•We present the largest database to date for the elemental crystalline work functions.•Facet-dependent work function is inversely correlated to the number of…”
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Surface energies, adhesion energies, and exfoliation energies relevant to copper-graphene and copper-graphite systems by Han, Yong, Lai, King C., Lii-Rosales, Ann, Tringides, Michael C., Evans, James W., Thiel, Patricia A.

“…•DFT generates precise surface and adhesion energies in Cu + graphite/graphene systems.•PBEsol is effective for Cu, and optB88 for graphite/graphene and Cu-C…”
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Chitosan-coated cotton fiber composite for efficient toxic dye encapsulation from aqueous media by Salman, Md. Shad, Sheikh, Md. Chanmiya, Hasan, Md. Munjur, Hasan, Md. Nazmul, Kubra, Khadiza Tul, Rehan, Ariyan Islam, Awual, Mrs Eti, Rasee, Adiba Islam, Waliullah, R.M., Hossain, Mohammed Sohrab, Khaleque, Md. Abdul, Alsukaibi, Abdulmohsen K.D., Alshammari, Hamed M., Awual, Md. Rabiul

“…[Display omitted] •Cotton cloth was modified with chitosan for reactive dye removal from aqueous media.•The Remazol Brilliant Red F3B (RR) was sensitively…”
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Accessing the robustness of adventitious carbon for charge referencing (correction) purposes in XPS analysis: Insights from a multi-user facility data review by Biesinger, Mark C.

“…[Display omitted] •5 years of XPS results highlighting common charge referencing methodologies.•Adventitious carbon (AdC) C 1s binding energy of 284.91 eV,…”
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Structure effects on the energetics of the electrochemical reduction of CO2 by copper surfaces by DURAND, William J, PETERSON, Andrew A, STUDT, Felix, ABILD-PEDERSEN, Frank, NØRSKOV, Jens K

“…Polycrystalline copper electrocatalysts have been experimentally shown to be capable of reducing CO{sub 2} into CH{sub 4} and C{sub 2}H{sub 4} with relatively…”
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Surface energy and work function of fcc and bcc crystals: Density functional study by Wang, Jian, Wang, Shao-Qing

“…The surface energies and work functions for six close-packed surfaces of 19 common fcc and bcc metals in the periodic table have been systematically calculated…”
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Reliable determination of chemical state in x-ray photoelectron spectroscopy based on sample-work-function referencing to adventitious carbon: Resolving the myth of apparent constant binding energy of the C 1s peak by Greczynski, G., Hultman, L.

“…•We analyze AdC layers on metals, nitrides, carbides, borides, oxides, and oxynitrides.•BE of C 1s peak EBF varies from 284.08 to 286.74 eV depending on the…”
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Ferroelectrics: A pathway to switchable surface chemistry and catalysis by Kakekhani, Arvin, Ismail-Beigi, Sohrab, Altman, Eric I.

“…It has been known for more than six decades that ferroelectricity can affect a material's surface physics and chemistry thereby potentially enhancing its…”
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Raman study of D band in graphene oxide and its correlation with reduction by Lee, A Young, Yang, Kihyuk, Anh, Nguyen Duc, Park, Chulho, Lee, Seung Mi, Lee, Tae Geol, Jeong, Mun Seok

“…[Display omitted] •Raman studies of GO, rGO and t-GO were conducted to assess the degree of reduction.•The C/O ratio is related to the intensity of D* band and…”
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The surface energy and stress of metals by Lee, J.-Y., Punkkinen, M.P.J., Schönecker, S., Nabi, Z., Kádas, K., Zólyomi, V., Koo, Y.M., Hu, Q.-M., Ahuja, R., Johansson, B., Kollár, J., Vitos, L., Kwon, S.K.

“…•Ab initio calculation of the surface relaxation of metals.•Surface energy and surface stress of transition metals.•Surface energy and surface stress of simple…”
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A review on g-C 3 N 4 -based photocatalysts by Wen, Jiuqing, Xie, Jun, Chen, Xiaobo, Li, Xin

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A novel organic/inorganic S-scheme heterostructure of TCPP/Bi12O17Cl2 for boosting photodegradation of tetracycline hydrochloride: Kinetic, degradation mechanism, and toxic assessment by Wang, Chunchun, Yan, Ruyu, Cai, Mingjie, Liu, Yanping, Li, Shijie

“…A novel organic/inorganic S-scheme heterostructure of TCPP/Bi12O17Cl2 is successfully constructed. Taking the advantages of the strengthened visible-light…”
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Graphene on metal surfaces by Wintterlin, J., Bocquet, M.-L.

“…The article reviews work on graphene monolayers adsorbed on metal surfaces. Graphene layers on metals have been prepared by surface segregation of carbon and…”
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Referencing to adventitious carbon in X-ray photoelectron spectroscopy: Can differential charging explain C 1s peak shifts? by Greczynski, G., Hultman, L.

“…[Display omitted] •C 1s spectra of adventitious carbon (AdC) on Au and Al foils are recorded with samples isolated from spectrometer.•C 1s peaks from Au and Al…”
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The effect of nitrogen-containing functional groups on SO2 adsorption on carbon surface: Enhanced physical adsorption interactions by Qu, Zhibin, Sun, Fei, Liu, Xin, Gao, Jihui, Qie, Zhipeng, Zhao, Guangbo

“…•A new insight into SO2 physisorption on N-doped carbon surface is revealed.•Quaternary N doping enhances SO2 physisorption on the basal plane of carbon…”
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