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Structured Review

Quantachrome gmbh density functional theory (dft) model
Pore size distribution curves of (a) Graphene ⅙ ( MoS 2 ) ⅚ , (b) Graphene ¼ ( MoS 2 ) ¾ , (c) Graphene ½ ( MoS 2 ) ½ , (d) Graphene ⅔ ( MoS 2 ) ⅓ and (e) Graphene ⅚ ( MoS 2 ) ⅙ : incremental pore volume as a function of the half pore size calculated form <t>DFT</t> <t>porosity</t> calculations based on data taken from nitrogen gas adsorption measurements.
Density Functional Theory (Dft) Model, supplied by Quantachrome gmbh, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/density+functional+theory+(dft)+model/density+functional+theory/pmc09042376-66-13-19
Average 90 stars, based on 1 article reviews
density functional theory (dft) model - by Bioz Stars, 2026-09
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1) Product Images from "Effect of porous structural properties on lithium-ion and sodium-ion storage: illustrated by the example of a micro-mesoporous graphene 1− x (MoS 2 ) x anode"

Article Title: Effect of porous structural properties on lithium-ion and sodium-ion storage: illustrated by the example of a micro-mesoporous graphene 1− x (MoS 2 ) x anode

Journal: RSC Advances

doi: 10.1039/d1ra05179b

Pore size distribution curves of (a) Graphene ⅙ ( MoS 2 ) ⅚ , (b) Graphene ¼ ( MoS 2 ) ¾ , (c) Graphene ½ ( MoS 2 ) ½ , (d) Graphene ⅔ ( MoS 2 ) ⅓ and (e) Graphene ⅚ ( MoS 2 ) ⅙ : incremental pore volume as a function of the half pore size calculated form DFT porosity calculations based on data taken from nitrogen gas adsorption measurements.
Figure Legend Snippet: Pore size distribution curves of (a) Graphene ⅙ ( MoS 2 ) ⅚ , (b) Graphene ¼ ( MoS 2 ) ¾ , (c) Graphene ½ ( MoS 2 ) ½ , (d) Graphene ⅔ ( MoS 2 ) ⅓ and (e) Graphene ⅚ ( MoS 2 ) ⅙ : incremental pore volume as a function of the half pore size calculated form DFT porosity calculations based on data taken from nitrogen gas adsorption measurements.

Techniques Used: Pore Size, Adsorption

Related Articles

Pore Size:

Article Title: Hydrothermal carbonization synthesis of cassava slag biochar with excellent adsorption performance for Rhodamine B
Article Snippet: This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record.. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article.. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.

Article Title: MnOx nanosheets anchored on a bio-derived porous carbon framework for high-performance asymmetric supercapacitors
Article Snippet: MnO2 is regarded as one of the most promising electrode materials for supercapacitors due to its high theoretical capacitance and low cost; however, it suffers from poor electronic and ionic conductivity.. Herein, nanostructured manganese oxides (MnOx) are anchored on a lotus seedpod-derived carbon framework (LSCF) in situ using a one-step hydrothermal-based redox synthesis strategy.. The as-prepared MnOx@LSCF hybrid features a 3D conductive network and ultrathin MnOx nanosheets with oxygen vacancies, which can enhance both electrons and ions transfer intrinsically and facilitate sufficient surface Faradaic redox reactions.

Functional Assay:

Article Title: Hydrothermal carbonization synthesis of cassava slag biochar with excellent adsorption performance for Rhodamine B
Article Snippet: This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record.. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article.. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.

Article Title: MnOx nanosheets anchored on a bio-derived porous carbon framework for high-performance asymmetric supercapacitors
Article Snippet: MnO2 is regarded as one of the most promising electrode materials for supercapacitors due to its high theoretical capacitance and low cost; however, it suffers from poor electronic and ionic conductivity.. Herein, nanostructured manganese oxides (MnOx) are anchored on a lotus seedpod-derived carbon framework (LSCF) in situ using a one-step hydrothermal-based redox synthesis strategy.. The as-prepared MnOx@LSCF hybrid features a 3D conductive network and ultrathin MnOx nanosheets with oxygen vacancies, which can enhance both electrons and ions transfer intrinsically and facilitate sufficient surface Faradaic redox reactions.

Adsorption:

Article Title: MnOx nanosheets anchored on a bio-derived porous carbon framework for high-performance asymmetric supercapacitors
Article Snippet: MnO2 is regarded as one of the most promising electrode materials for supercapacitors due to its high theoretical capacitance and low cost; however, it suffers from poor electronic and ionic conductivity.. Herein, nanostructured manganese oxides (MnOx) are anchored on a lotus seedpod-derived carbon framework (LSCF) in situ using a one-step hydrothermal-based redox synthesis strategy.. The as-prepared MnOx@LSCF hybrid features a 3D conductive network and ultrathin MnOx nanosheets with oxygen vacancies, which can enhance both electrons and ions transfer intrinsically and facilitate sufficient surface Faradaic redox reactions.

other:

Article Title: H<sub>2</sub>, N<sub>2</sub>, CO<sub>2</sub>, and CH<sub>4</sub> Unary Adsorption Isotherm Measurements at Low and High Pressures on Zeolitic Imidazolate Framework ZIF-8
Article Snippet: The surface area, pore volume, and pore-size distribution (PSD) of ZIF-8 were determined by fitting the N2 adsorption branch with the nonlocal density functional theory (NLDFT) model (cylindrical/spherical on silica/zeolite) supplied by Quantachrome Instruments with its proprietary data analysis software (ASiQwin).

Article Title: Organic-free synthesis of small pore zeolite catalysts
Article Snippet: Pore size analyses were obtained from the adsorption branches using the non-local density functional theory (NLDFT) model provided by Quantachrome's data reduction software (based on model of Ar at 87 K on a zeolite with cylindrical pores).

Article Title: A hyperbranched polymer synthetic strategy for the efficient fixation of metal species within nanoporous structures: Application in automotive catalysis
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Article Title: Re-examination of Thermogravimetric Kinetic Analysis of Lignite Char Gasification
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Article Title: Effect of porous structural properties on lithium-ion and sodium-ion storage: illustrated by the example of a micro-mesoporous graphene 1− x (MoS 2 ) x anode
Article Snippet: Taking the porosity and surface energy of the solid into account, we used Density Functional Theory (DFT) model (from Quantachrome Autosorb ASiQwin 2.0) to analyze the pore size distributions.

Article Title: Enhancement of the Adsorption of Hazardous Odor Gas Using Controlled Thermal Oxidation
Article Snippet: Enhancement of the Adsorption of Hazardous Odor Gas using Controlled Thermal Oxidation Sooyeol Phyoa,b, Heehyeon Leea,b, Youngtak Oha,c*, Jiwon Leea,c*1 a Center for Sustainable Environment Research, Korea Institute of Science and Technology (KIST), Seoul, 02792, Republic of Korea b Department of Materials Science and Engineering, Korea University, Seoul, 02841, Republic of Korea c Division of Energy & Environment Technology, Korea University of Science and Technology (UST), 217 Gajeong-ro, Yuseong-gu, Daejeon 34113, Republic of Korea



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Image Search Results


Pore size distribution curves of (a) Graphene ⅙ ( MoS 2 ) ⅚ , (b) Graphene ¼ ( MoS 2 ) ¾ , (c) Graphene ½ ( MoS 2 ) ½ , (d) Graphene ⅔ ( MoS 2 ) ⅓ and (e) Graphene ⅚ ( MoS 2 ) ⅙ : incremental pore volume as a function of the half pore size calculated form DFT porosity calculations based on data taken from nitrogen gas adsorption measurements.

Journal: RSC Advances

Article Title: Effect of porous structural properties on lithium-ion and sodium-ion storage: illustrated by the example of a micro-mesoporous graphene 1− x (MoS 2 ) x anode

doi: 10.1039/d1ra05179b

Figure Lengend Snippet: Pore size distribution curves of (a) Graphene ⅙ ( MoS 2 ) ⅚ , (b) Graphene ¼ ( MoS 2 ) ¾ , (c) Graphene ½ ( MoS 2 ) ½ , (d) Graphene ⅔ ( MoS 2 ) ⅓ and (e) Graphene ⅚ ( MoS 2 ) ⅙ : incremental pore volume as a function of the half pore size calculated form DFT porosity calculations based on data taken from nitrogen gas adsorption measurements.

Article Snippet: Taking the porosity and surface energy of the solid into account, we used Density Functional Theory (DFT) model (from Quantachrome Autosorb ASiQwin 2.0) to analyze the pore size distributions.

Techniques: Pore Size, Adsorption