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57 Treffer

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  1. Detailansicht für Treffer 1 öffnen
    Boron-based Pd3B26 alloy cluster as a nanoscale antifriction bearing system: tubular core–shell structure, double π/σ aromaticity, and dynamic structural fluxionalityElectronic supplementary information (ESI) available: Cartesian coordinates for key structures, cluster 1 (Cs, 1A′) and transition-state (TS) structure 2 (Cs, 1A′), of the alloy Pd3B26 cluster system at the PBE0/def2-TZVP level (Table S1); alternative low-lying structures of Pd3B26 cluster at PBE0/def2-TZVP along with their relative energies at two levels of theory (Fig. S1); bond distances, Wiberg bond indices (WBIs), and natural atomic charges for cluster 1 and TS structure 2 (Fig. S2); selected CMOs of cluster 1 and TS structure 2 (Fig. S3, S5 and S6); AdNDP bonding schemes for cluster 1 and TS structure 2 (Fig. S4 and S7); and a short movie extracted from the BOMD simulation for Pd3B26 cluster at near room temperature of 300 K. See DOI: https://doi.org/10.1039/d3cp03159d
    Feng, Lin-Yan ; Guo, Jin-Chang ; et al.
    In: Physical chemistry chemical physics, Jg. 25 (2023), Heft 39, S. 26443-26454
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  2. Detailansicht für Treffer 2 öffnen
    Linear conductance update improvement of CMOS-compatible second-order memristors for fast and energy-efficient training of a neural network using a memristor crossbar arrayElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d3nh00121k
    Park, See-On ; Park, Taehoon ; et al.
    In: Nanoscale horizons, Jg. 8 (2023), Heft 10, S. 1366-1376
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  3. Detailansicht für Treffer 3 öffnen
    Ferroelectric synaptic devices based on CMOS-compatible HfAlOx for neuromorphic and reservoir computing applicationsElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d3nr01294h
    Kim, Dahye ; Kim, Jihyung ; et al.
    In: Nanoscale, Jg. 15 (2023), Heft 18, S. 8366-8376
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  4. Detailansicht für Treffer 4 öffnen
    Role of the electrolyte layer in CMOS-compatible and oxide-based vertical three-terminal ECRAMElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d2tc05552j
    Han, Geonhui ; Seo, Jongseon ; et al.
    In: Journal of materials chemistry.C, Jg. 11 (2023), Heft 15, S. 5167-5173
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  7. Detailansicht für Treffer 7 öffnen
    Reliable metal–graphene contact formation process flows in a CMOS-compatible environment
    Elviretti, M. ; Lisker, M. ; et al.
    In: Nanoscale advances, Jg. 4 (2022), Heft 20, S. 4373-4380
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  8. Detailansicht für Treffer 8 öffnen
    Multi-parametric functional imaging of cell cultures and tissues with a CMOS microelectrode arrayElectronic supplementary information (ESI) available. See DOI: 10.1039/d1lc00878a
    Abbott, Jeffrey ; Mukherjee, Avik ; et al.
    In: Lab on a chip, Jg. 22 (2022), Heft 7, S. 1286-1296
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  9. Detailansicht für Treffer 9 öffnen
    Ternary 14-electron XB2Be2 (X = Si, Ge, Sn, Pb) clusters: a planar tetracoordinate silicon (ptSi) system and its ptGe/Sn/Pb congenersElectronic supplementary information (ESI) available: Cartesian coordinates for GM clusters XB2Be2 (X = Si/Ge/Sn/Pb) (1–4) at the PBE0-D3/def2-QZVP level (Table S1); orbital composition analyses for SiB2Be2 (1) and PbB2Be2 (4) clusters (Tables S2 and S3); top lowest-lying structures and their relative energies (Fig. S1); Wiberg bond indices (WBIs) and natural atomic charges for clusters 1–4 (Fig. S2); comparative root-mean-square deviations (RMSDs) of cluster 1 during the BOMD simulations at room temperature (298 K) and at a higher temperature (1200 K) (Fig. S3); and canonical molecular orbitals (CMOs), AdNDP bonding scheme, as well as electron localization function (ELF) analysis of cluster 4 (Fig. S4 and S5). See DOI: 10.1039/d1cp05226h
    Zhao, Lian-Qing ; Guo, Jin-Chang ; et al.
    In: Physical chemistry chemical physics, Jg. 24 (2022), Heft 11, S. 7068-7076
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  10. Detailansicht für Treffer 10 öffnen
    SE-ECL on CMOS: a miniaturized electrochemiluminescence biosensor
    Abbasi, Reza ; Liu, Juanjuan ; et al.
    In: Lab on a chip, Jg. 22 (2022), Heft 5, S. 994-1005
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  11. Detailansicht für Treffer 11 öffnen
    On the nature of bonding in a new boronyl species Zn2(BO)2: a linear four-center two-electron σ bondElectronic supplementary information (ESI) available: Typical low-lying isomers of Zn2(BO)2 (Fig. S1); representation of the key molecular orbitals (CMOs) of OBZnZnBO (D∞h, 1∑g), D∞h HZnZnH, and D∞h NCZnZnCN from DFT calculations (Fig. S2); AdNDP bonding pattern for the OBZnZnBO (D∞h, 1∑g) cluster based on the 2c–2e Zn–Zn bond (Fig. S3); the calculated bond length of compounds containing the Zn–Zn bond using different basis sets with the B3LYP method (Table S1); the calculated frequencies, intensities and bond lengths for zinc complexes with boronyl as ligands, and D∞h HZnZnH and NCZnZnCN clusters (Table S2). See DOI: 10.1039/d1cp03920b
    Li, Da-Zhi ; Zhang, Li-Juan ; et al.
    In: Physical chemistry chemical physics, Jg. 24 (2022), Heft 1, S. 287-294
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  12. Detailansicht für Treffer 12 öffnen
    Unexpected phosphorus doping routine of planar silicon nanowires for integrating CMOS logicsElectronic supplementary information (ESI) available: Fig. S1a–b and S2a–b. See DOI: 10.1039/d1nr03014k
    Sun, Ying ; Qian, Wentao ; et al.
    In: Nanoscale, Jg. 13 (2021), Heft 35, S. 15031-15037
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  13. Detailansicht für Treffer 13 öffnen
    Printed solid state electrolyte carbon nanotube thin film transistors for sub-1 V fully printed flexible CMOS invertersElectronic supplementary information (ESI) available: Fig. S1–S3 and Table S1 as described in the text. Fig. S1: The optical image of an ionic c-PVP layer deposited by inkjet printing formulated with (a) PGMEA solvent, and with (b) a co-solvent system (PGMEA : TEGME) = (1 : 1), contact angles for water measured on the planarization layer (c) without UV-zone and (d) with UV-zone for 30 s. Fig. S2: Transfer characteristics at Vds = −0.2 V of fully printed c-PVP based SWCNT-TFTs for the different UV-ozone treatment durations prior to printing the SWCNT inks. Fig. S3: The areal capacitance of a the ll printed MIM structure. Ag/IL-c-PVP/Ag with the different weight percentages of ILs in the dielectric layers: (a) 0%, (b) 5%, (c) 15% and (d) 25%. Table S1: The areal capacitance values and the extracted dielectric constants of c-PVP dielectric layers with different concentrations of ILs. See DOI: 10.1039/d1tc00357g
    Gao, Tianqi ; Deng, Jie ; et al.
    In: Journal of materials chemistry.C, Jg. 9 (2021), Heft 21, S. 6852-6862
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  14. Detailansicht für Treffer 14 öffnen
    Boron-based Be2B5+/0/− alloy clusters: inverse sandwiches with pentagonal boron ring and reduction-induced structural transformation to molecular wheel structureElectronic supplementary information (ESI) available: Cartesian coordinates for the GM structures of Be2B5+/0/− (1–3) clusters at the PBE0/6-311+G* level (Table S1); alternative optimized low-lying structures of Be2B5+/0/− clusters along with their relative energies at the PBE0 and single-point CCSD(T) levels (Fig. S1–S3); calculated Wiberg bond indices (WBIs) and natural atomic charges of clusters 1–3 from natural bond orbital (NBO) analyses (Fig. S4); and the CMO pictures for Be2B5 (2) clusters (Fig. S5). See DOI: 10.1039/d0nj05961g
    Han, Li-Hua ; Wang, Ying-Jin ; et al.
    In: New journal of chemistry, Jg. 45 (2021), Heft 10, S. 4675-4682
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  15. Detailansicht für Treffer 15 öffnen
    A designer 32-electron superatomic CBe8H12 cluster: core–shell geometry, octacoordinate carbon, and cubic aromaticityElectronic supplementary information (ESI) available: Cartesian coordinates for optimized structures of CBe8H12 (1), Be8H122+ (2), and NBe8H12+ (3) clusters and their three lowest-lying isomers (nB–nD) at the PBE0-D3/def2-TZVPP level (Table S1); calculated WBIs, natural atomic charges, and HOMO–LUMO energy gaps of 1–3 at PBE0-D3/def2-TZVPP, as well as their NICSs (Table S2); composition analysis for occupied CMOs of 1 and 2 (Tables S3 and S4); optimized GM structures of cubic clusters 1–3 at PBE0-D3/def2-TZVPP along with their lowest-lying isomers nB–nD (Fig. S1); WBIs and natural atomic charges of cluster 1 at PBE0-D3/def2-TZVPP (Fig. S2); RMSDs of cluster 1 during the BOMD simulations at selected temperatures (Fig. S3); pictures of CMOs for cluster 2 (Fig. S4); and optimized quasi-linear chain nanostructures of clusters (CBe8H12)2, (CBe8H12)3, and (CBe8H12)4 at PBE0/def2-TZVP (Fig. S5). See DOI: 10.1039/d0nj00778a
    Guo, Jin-Chang ; Feng, Lin-Yan ; et al.
    In: New journal of chemistry, Jg. 44 (2020), Heft 18, S. 7286-7292
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  16. Detailansicht für Treffer 16 öffnen
    Superhydrophobic bowl-like SERS substrates patterned from CMOS sensors for extracellular vesicle characterization
    Suarasan, Sorina ; Liu, Juanjuan ; et al.
    In: Journal of materials chemistry.B, Jg. 8 (2020), Heft 38, S. 8845-8852
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  17. Detailansicht für Treffer 17 öffnen
    Planar tetracoordinate carbon molecules with 14 valence electrons: examples of CBe4Mnn−2 (M = Li, Au; n = 1–3) clustersElectronic supplementary information (ESI) available: Cartesian coordinates for optimized GM clusters 1–6 of CBe4Mnn−2 (M = Li, Au; n = 1–3) and their three lowest-lying isomers (nB–nD) at PBE0-D3/def2-TZVPP (Table S1); orbital composition analysis for CBe4Li− (1) and CBe4Au− (4), along with the LUMOs of CBe4M3+ (M = Li, Na, K, Cu, Ag, Au) (Tables S2–S4); optimized geometries of GM clusters 1–6 and their lowest-lying isomers nB–nD (Fig. S1); natural atomic charges of 1–6 (Fig. S2); root-mean-square deviations of 1–6 during their molecular dynamics simulations (Fig. S3); CMO pictures of 1/4 (Fig. S4); optimized tetrahedral carbon (thC) structures of 1′/3′/4′ at the PBE0-D3/def2-TZVPP level (Fig. S5); comparison of Wiberg bond indices (WBIs) and natural atomic charges of GM ptC cluster 3 and thC isomer 3′ (Fig. S6); and calculated nucleus-independent chemical shifts for 1–6 (Fig. S7). See DOI: 10.1039/d0nj03944f
    Guo, Jin-Chang ; Feng, Lin-Yan ; et al.
    In: New journal of chemistry, Jg. 44 (2020), Heft 42, S. 18293-18302
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  18. Detailansicht für Treffer 18 öffnen
    The structure and chemical bonding in inverse sandwich B6Ca2 and B8Ca2 clusters: conflicting aromaticity vs. double aromaticityElectronic supplementary information (ESI) available: Cartesian coordinates for the GM structures of B6Ca2 and B8Ca2, alternative optimized structures of B6Ca2 and B8Ca2, CMOs for the GM structure and the competitor of B8Ca2, AdNDP for the competitor of B8Ca2. See DOI: 10.1039/d0cp03703f
    Wang, Ying-Jin ; Guo, Min-Min ; et al.
    In: Physical chemistry chemical physics, Jg. 22 (2020), Heft 36, S. 20362-20367
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  19. Detailansicht für Treffer 19 öffnen
    Extracellular recording of direct synaptic signals with a CMOS-nanoelectrode arrayElectronic supplementary information (ESI) available. See DOI: 10.1039/d0lc00553c
    Abbott, Jeffrey ; Ye, Tianyang ; et al.
    In: Lab on a chip, Jg. 20 (2020), Heft 17, S. 3239-3248
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  20. Detailansicht für Treffer 20 öffnen
    A BPt4S4 cluster: a planar tetracoordinate boron system with three charges all at their global energy minimaElectronic supplementary information (ESI) available: Optimized structures of the global-minimum 1–3 of BPt4S4n (n = 2−, 1−, 0) and three lowest-lying structures at the B3LYP/def2-TZVP level (Fig. S1). Detail WBIs and NPA charges for 3 of BPt4S4 cluster from NBO analyses (Fig. S2). CMOs of BPt4S4− (Fig. S3). Chemical bonding analyses using AdNDP for the D4h BPt4S4− (Fig. S4). Cartesian coordinates for optimized structures of clusters 1–3, three low-lying isomers nB-nD (n = 1–3), and BPt4S4H, BPt4S4Li and BPt4S4Na at the B3LYP/def2-TZVP level (Tables S1 and S2). See DOI: 10.1039/c9nj05456a
    Feng, Wei ; Zhu, Changyan ; et al.
    In: New journal of chemistry, Jg. 44 (2020), Heft 3, S. 767-772
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