المؤلفون: Shuang Jiang, Xijun Wang, Yuanyuan Chong, Yan Huang, Wei Hu, Pieter E. S. Smith, Jun Jiang, Shuo Feng

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Sociology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, using machine learning, statistical interaction properties, based machine learning, important adsorption properties, real chemical environments, conformationally averaged ensemble, surface theoretical analyses, conformationally averaged, theoretical framework, molecule adsorption, molecular adsorption, theoretically derived, surface molecules, simplified models, pressing need, indeterminate numbers, favorable configuration, co adsorbates, calculated infrared

Relation: https://figshare.com/articles/journal_contribution/Spectra-Based_Machine_Learning_for_Predicting_the_Statistical_Interaction_Properties_of_CO_Adsorbates_on_Surface/25277388

الاتاحة: https://doi.org/10.1021/acs.jpclett.4c00011.s001
https://figshare.com/articles/journal_contribution/Spectra-Based_Machine_Learning_for_Predicting_the_Statistical_Interaction_Properties_of_CO_Adsorbates_on_Surface/25277388

المؤلفون: Aoi Okuda, Taniyuki Furuyama, Toshiaki Sakai, Masato Machida, Hiroshi Yoshida

مصطلحات موضوعية: Biochemistry, Medicine, Cell Biology, Sociology, Inorganic Chemistry, Computational Biology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, whereas carbon monoxide, way catalytic reactions, substrate molecule adsorption, step primarily determining, respective catalytic properties, manipulating aging temperature, lower coordination number, albeit positively influencing, tetrahedrally coordinated cu, octahedrally coordinated cu, cu significantly benefits, cu active sites, different coordination states, 4 , 2 , different mechanisms, spinel framework, separate formation, selective formation, redox behavior, rate differs

Relation: https://figshare.com/articles/journal_contribution/Selective_Formation_of_Cu_Active_Sites_with_Different_Coordination_States_on_Pseudospinel_CuAl_sub_2_sub_O_sub_4_sub_and_Their_NO_Reduction_Catalysis/25334282

الاتاحة: https://doi.org/10.1021/acsomega.3c09704.s001
https://figshare.com/articles/journal_contribution/Selective_Formation_of_Cu_Active_Sites_with_Different_Coordination_States_on_Pseudospinel_CuAl_sub_2_sub_O_sub_4_sub_and_Their_NO_Reduction_Catalysis/25334282

المؤلفون: Changhui Yu, Peng Shang, Yuan Guo, Zhen Zhang

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Space Science, Physical Sciences not elsewhere classified, orientation distribution within, interfacial potential φ, initial rapid increase, induced electric field, dye molecules influenced, shg signal results, dye molecule adsorption, diffusion layer continued, biomimic membrane composed, harmonic generation study, harmonic generation, diffusion layer, study offers, study employed, subsequent decline, styryl )-<, sodium salt, sn <, situ second, pyridinium iodide, n <, measurements demonstrated, essential role, electrostatic interaction, dynamic changes

Relation: https://figshare.com/articles/journal_contribution/In_Situ_Heterodyne-Detected_Second-Harmonic_Generation_Study_of_the_Influence_of_Cholesterol_on_Dye_Molecule_Adsorption_on_Lipid_Membrane/25222326

الاتاحة: https://doi.org/10.1021/acs.jpcb.3c07130.s001
https://figshare.com/articles/journal_contribution/In_Situ_Heterodyne-Detected_Second-Harmonic_Generation_Study_of_the_Influence_of_Cholesterol_on_Dye_Molecule_Adsorption_on_Lipid_Membrane/25222326

المؤلفون: Junqing Meng, Zihan Zhou, Jie Wang, Chunhui Lyu, Baisheng Nie

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Mental Health, Plant Biology, Space Science, Chemical Sciences not elsewhere classified, van der waals, original mof structure, research findings indicate, 20 selected materials, ion doping altered, 2 , molecule adsorption sites, ion doping sites, decreased adsorption capacity, ion doping, adsorption sites, adsorption capacity, findings revealed, doping methods, modify materials, certain materials, adsorption performance, throughput screening, theoretical foundation, study provides, showed potential, promising solution, may exhibit

Relation: https://figshare.com/articles/journal_contribution/Lithium-Ion_Doping_for_Enhanced_Hydrogen_Sulfide_Adsorption_on_Metal_Organic_Frameworks_Grand_Canonical_Monte_Carlo_and_Density_Functional_Theory_Simulations/24867108

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c06209.s001
https://figshare.com/articles/journal_contribution/Lithium-Ion_Doping_for_Enhanced_Hydrogen_Sulfide_Adsorption_on_Metal_Organic_Frameworks_Grand_Canonical_Monte_Carlo_and_Density_Functional_Theory_Simulations/24867108

المؤلفون: Creutzburg, Marcus, Sellschopp, Kai, Gleißner, Robert, Arndt, Björn, Vonbun-Feldbauer, Gregor, Vonk, Vedran, Noei, Heshmat, Stierle, Andreas

مصطلحات موضوعية: carboxylic acids, interfaces, magnetite, molecule adsorption, surface structure, 600: Technik

وصف الملف: application/pdf

Relation: Journal of physics. Condensed matter; SFB 986: Teilprojekt A04 - Ab-initio basierende Modellierung und Beeinflussung der mechanischen Eigenschaften von Hybridgrenzflächen; Journal of physics. Condensed matter 34 (16): 164003 (2022-02-22); http://hdl.handle.net/11420/11827; 2-s2.0-85125019914

الاتاحة: http://hdl.handle.net/11420/11827
https://doi.org/10.15480/882.4246

المؤلفون: Chang Gao (5455919), Lili Zhang (120447), Qijing Zheng (1754962), Jin Zhao (94790)

مصطلحات موضوعية: Biophysics, Biotechnology, Ecology, Cancer, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, valence band maximum, ab initio <, photoexcited small polarons, photoexcited free electrons, 2 , molecule adsorption provides, photoexcited small polaron, photoexcited polaron lifetime, photoexcited electrons, small polaron, photoexcited polaron, photoexcited hole, photoexcited electron, molecule adsorption, polaron shortens, work suggests, ti –, new stratagem, lattice distortion, important role, important applications, frequency phonons, famous wide

Relation: https://figshare.com/articles/journal_contribution/Tuning_the_Lifetime_of_Photoexcited_Small_Polarons_on_Rutile_TiO_sub_2_sub_Surface_via_Molecular_Adsorption/17138922

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c07697.s001

المؤلفون: Ziwei Yu (6278837), Renee R. Frontiera (1277790)

مصطلحات موضوعية: Biochemistry, Biotechnology, Evolutionary Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, picosecond time scale, optical cross sections, one major challenge, intermolecular forces play, highly heterogeneous nature, employ ultrafast surface, achieve highly efficient, solar energy harvesting, optimize plasmonic systems, stokes raman spectroscopy, molecule adsorption geometry, energy transfer kinetics, energy deposited onto, driven energy transfer, energy transfer, energy deposited, energy flow, energy distribution, charge transfer, plasmonic substrates, plasmonic materials, systematic understanding, significant obstacles, selective catalysis

Relation: https://figshare.com/articles/journal_contribution/Intermolecular_Forces_Dictate_Vibrational_Energy_Transfer_in_Plasmonic_Molecule_Systems/17410913

الاتاحة: https://doi.org/10.1021/acsnano.1c08431.s001

المؤلفون: Kuan-Yu Lin (244865), Ming-Quan Cai (11668268), Yu-Ting Wu (2057263), Min-Hsin Yeh (1358916), Jyh-Chiang Jiang (1292520)

مصطلحات موضوعية: Biophysics, Biotechnology, Immunology, Developmental Biology, Science Policy, Infectious Diseases, Computational Biology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, sensitized solar cells, overall reaction rate, nitrogen codoped graphene, dim light illumination, negatively charged single, low charge density, multilayer bng sheets, multilayer bng sheet, 2 , charged environment, charge effects, photovoltaic experiments, molecule adsorption, easily achieve, counter electrode, computational results, combined theoretical, advances high

Relation: https://figshare.com/articles/journal_contribution/Boron_and_Nitrogen_Codoped_Multilayer_Graphene_as_a_Counter_Electrode_A_Combined_Theoretical_and_Experimental_Study_on_Dye-Sensitized_Solar_Cells_under_Ambient_Light_Conditions/16965104

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c06646.s001

المؤلفون: Francisco Hidalgo (100533), Alberto Rubio-Ponce (6818639), Cecilia Noguez (1596871)

مصطلحات موضوعية: Biophysics, Molecular Biology, Physiology, Biotechnology, Immunology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, three sites defined, three functional groups, moire ́ pattern, 20 °, adsorption takes place, adsorption energies depend, tune cysteine adsorption, adsorption energies, 79 °, molecule adsorption, cysteine adsorption, staking region, room temperature, latter parameter, enantioselector substrate, electronic properties, cysteine molecules, cysteine enantiomers, ab stacking, ab bilayer

Time: 27

Relation: https://figshare.com/articles/journal_contribution/Cysteine_Adsorption_on_Twisted-Bilayer_Graphene/17108111

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c08649.s001

المؤلفون: Linh Chi T. Cao (11845883), Chao-An Jong (11845886), Shu-Han Hsu (2273038), Shih-Feng Tseng (11289011)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Biotechnology, Ecology, Computational Biology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, require complicated control, offers possible application, molecularly driven assembly, strong covalent bonding, intrinsic surface property, around 50 nm, formed mxene layer, selective mxene adsorption, strong interaction, molecule adsorption, around 154, active surface, mxene micropatterning, mxene flakes, ω /□), simple approach, sheet resistance, sensing platform, published techniques, patterns obtained

Relation: https://figshare.com/articles/journal_contribution/A_Simple_Approach_to_MXene_Micropatterning_from_Molecularly_Driven_Assembly/17213642

الاتاحة: https://doi.org/10.1021/acsomega.1c06662.s001

المؤلفون: Tao Yu (176965), Tao Xie (146080), Wei Zhou (24328), Yizhong Zhang (6034004), Yiliang Chen (717993), Boyu Shao (10757705), Wan-Qian Guo (10757708), Xin Tan (721363)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Evolutionary Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, nitrogen defects, charge, urea, H 2 O molecule adsorption capacity, tunable band structures, fumaric acid, graphite carbon nitride, separation, Enhanced Photocatalytic Hydrogen Ev., photocatalytic hydrogen evolution, DFT, site, g-C 3 N 4

Relation: https://figshare.com/articles/journal_contribution/Fumaric_Acid_Assistant_Band_Structure_Tunable_Nitrogen_Defective_g_C_sub_3_sub_N_sub_4_sub_Fabrication_for_Enhanced_Photocatalytic_Hydrogen_Evolution/14550923

الاتاحة: https://doi.org/10.1021/acssuschemeng.1c01163.s001

المؤلفون: Martin Reinhardt (8905457), Neil J. Bruce (1340943), Daria B. Kokh (1486933), Rebecca C. Wade (170810)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Ecology, Cancer, Hematology, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, Mean-Field Hydrodynamics Simulations, insight, grid-based approaches, Brownian dynamics simulations, Long-Range Electrostatics, modeling grid-based, well-characterized protein hen egg-., SDA, silica-like surfaces, Diffusional Association, many-molecule adsorption, adsorption process, software package, model solutes, interaction, body solutes, hydrodynamic, time scales

Relation: https://figshare.com/articles/journal_contribution/Brownian_Dynamics_Simulations_of_Proteins_in_the_Presence_of_Surfaces_Long-Range_Electrostatics_and_Mean-Field_Hydrodynamics/14343221

الاتاحة: https://doi.org/10.1021/acs.jctc.0c01312.s001

المؤلفون: Fang Liu, Hao Zheng, Tianze Jiang, Bin Liu, Jianming Zhang, Hang Yuan, Fengcheng Liu, Xiaoxue Fan, Xiaoping Ouyang

المصدر: Materials; Volume 14; Issue 7; Pages: 1720

مصطلحات موضوعية: H 2 O molecule adsorption, first principle, CsI(Na) crystal surface, optical property

وصف الملف: application/pdf

Relation: Advanced Materials Characterization; https://dx.doi.org/10.3390/ma14071720

الاتاحة: https://doi.org/10.3390/ma14071720

المؤلفون: Anabel Jurado, Francesc Illas, Ángel Morales-García, Francesc Viñes

المصدر: The Journal of Physical Chemistry C. 125:26808-26813

مصطلحات موضوعية: Crystallography, General Energy, Materials science, Stacking, Physical and Theoretical Chemistry, Layer (electronics), Molecule adsorption, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0ea97ac17809bbe997baaa6d4031f92c
https://doi.org/10.1021/acs.jpcc.1c07577

المؤلفون: Xianchen Wang, Qin Zhang, Xianbo Li, Junjian Ye, Longjiang Li

المصدر: Minerals, Vol 8, Iss 2, p 58 (2018)

مصطلحات موضوعية: electronic properties, quartz, water molecule adsorption, density functional theory, Mineralogy, QE351-399.2

Relation: http://www.mdpi.com/2075-163X/8/2/58; https://doaj.org/toc/2075-163X; https://doaj.org/article/5266bc35957f475a805337a14cae1685

الاتاحة: https://doi.org/10.3390/min8020058
https://doaj.org/article/5266bc35957f475a805337a14cae1685

المؤلفون: Ying-Wei Yang, Zheng Li

المصدر: Polymer Chemistry. 12:4613-4620

مصطلحات موضوعية: chemistry.chemical_classification, Flexibility (engineering), Materials science, Polymers and Plastics, Organic Chemistry, Supramolecular chemistry, Bioengineering, Nanotechnology, Polymer, Conjugated system, Biochemistry, Polymerization, chemistry, Covalent bond, Surface modification, Molecule adsorption

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::901aabca87754bb6c0ababc3c51672da
https://doi.org/10.1039/d1py00759a

المؤلفون: Yuya Asai, Akitaka Yoshigoe, Ryo Tamura, Akira Uedono, Masatomo Sumiya, Masato Sumita

المصدر: The Journal of Physical Chemistry C. 124:25282-25290

مصطلحات موضوعية: Materials science, Plane (geometry), 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, Adsorption, Polar, Molecule, Irradiation, Physical and Theoretical Chemistry, 0210 nano-technology, Molecule adsorption, Beam (structure)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b608d58ee4873553a4b645a79b6d076c
https://doi.org/10.1021/acs.jpcc.0c07151

المؤلفون: Zelovich, Tamar, Hansen, Thorsten, Tuckerman, Mark E.

المصدر: Zelovich , T , Hansen , T & Tuckerman , M E 2022 , ' A Green's Function Approach for Determining Surface Induced Broadening and Shifting of Molecular Energy Levels ' , Nano Letters , vol. 22 , no. 24 , pp. 9854–9860 . https://doi.org/10.1021/acs.nanolett.2c02910

مصطلحات موضوعية: Molecule/Surface Interface, Molecular Energy Levels, Shifting, Broadening, Alignment, Molecule Adsorption, LI-ION BATTERIES, CHARGE-TRANSPORT, ELECTRONIC DEVICES, SPECTROSCOPY, INTERFACES, JUNCTIONS, SCATTERING

الاتاحة: https://researchprofiles.ku.dk/da/publications/a-greens-function-approach-for-determining-surface-induced-broadening-and-shifting-of-molecular-energy-levels(ec9632fd-6152-44de-bbf8-38510a1ee6c3).html
https://doi.org/10.1021/acs.nanolett.2c02910

المؤلفون: Xiaohu Zhang, Pei Wang, Yonggang Xiang, Hao Chen, Xiao Xu, Xing Ding, Nan Yang, Shengyao Wang

المصدر: ACS Applied Materials & Interfaces. 12:1867-1876

مصطلحات موضوعية: Facet (geometry), Materials science, business.industry, Composite number, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, Semimetal, 0104 chemical sciences, Metal, Semiconductor, visual_art, visual_art.visual_art_medium, Photocatalysis, General Materials Science, Molecular oxygen, 0210 nano-technology, business, Molecule adsorption

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::19613111a679cbc9b6af99a7ec5f86ed
https://doi.org/10.1021/acsami.9b17623

المؤلفون: Stephanie Jensen, William P. Lustig, Kui Tan, Timo Thonhauser, Jing Li, Yves J. Chabal, Dmitri S. Kilin

المصدر: Chemistry of Materials. 31:7933-7940

مصطلحات موضوعية: Materials science, Photoluminescence, General Chemical Engineering, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Photochemistry, 01 natural sciences, 0104 chemical sciences, Materials Chemistry, Metal-organic framework, 0210 nano-technology, Molecule adsorption

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::a1e0022baeab21e839bbde049895d066
https://doi.org/10.1021/acs.chemmater.9b02056