4.7 Article

Exploring the anchoring effect and catalytic mechanism of 3d transition metal phthalocyanine for S8/LiPSs: A density functional theory study

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Stable Dioxin-Linked Metallophthalocyanine Covalent Organic Frameworks (COFs) as Photo-Coupled Electrocatalysts for CO2 Reduction

Meng Lu et al.

Summary: This study designed a series of stable metallophthalocyanine COFs as novel single-site catalysts with outstanding activity and selectivity for electrocatalytic CO2 reduction. Coupled with light, these COFs showed improved efficiency and potential for applications in the field of electrocatalysis.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Article Chemistry, Physical

New insights into Li2S2/Li2S adsorption on the graphene bearing single vacancy: A DFT study

Zonglin Yi et al.

APPLIED SURFACE SCIENCE (2020)

Article Chemistry, Multidisciplinary

A Stable and Conductive Metallophthalocyanine Framework for Electrocatalytic Carbon Dioxide Reduction in Water

Ning Huang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)

Article Chemistry, Multidisciplinary

Consolidating Lithiothermic-Ready Transition Metals for Li2S-Based Cathodes

Zhenyu Xing et al.

ADVANCED MATERIALS (2020)

Review Chemistry, Inorganic & Nuclear

Recent advances in phthalocyanines for chemical sensor, non-linear optics (NLO) and energy storage applications

Denisha Gounden et al.

COORDINATION CHEMISTRY REVIEWS (2020)

Article Chemistry, Physical

A fundamental look at electrocatalytic sulfur reduction reaction

Lele Peng et al.

NATURE CATALYSIS (2020)

Article Chemistry, Multidisciplinary

High-Mobility Semiconducting Two-Dimensional Conjugated Covalent Organic Frameworks with p-Type Doping

Mingchao Wang et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Article Chemistry, Multidisciplinary

Cobalt in Nitrogen-Doped Graphene as Single-Atom Catalyst for High-Sulfur Content Lithium-Sulfur Batteries

Zhenzhen Du et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Article Chemistry, Multidisciplinary

Sulfur Redox Reactions at Working Interfaces in Lithium-Sulfur Batteries: A Perspective

Hong Yuan et al.

ADVANCED MATERIALS INTERFACES (2019)

Article Chemistry, Multidisciplinary

Two-Dimensional Chemiresistive Covalent Organic Framework with High Intrinsic Conductivity

Zheng Meng et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)

Article Multidisciplinary Sciences

CO2 electrochemical catalytic reduction with a highly active cobalt phthalocyanine

Min Wang et al.

NATURE COMMUNICATIONS (2019)

Review Materials Science, Multidisciplinary

Revisiting Scientific Issues for Industrial Applications of Lithium-Sulfur Batteries

Bo Liu et al.

ENERGY & ENVIRONMENTAL MATERIALS (2018)

Review Materials Science, Multidisciplinary

A Perspective on Energy Densities of Rechargeable Li-S Batteries and Alternative Sulfur-Based Cathode Materials

Wei Guo et al.

ENERGY & ENVIRONMENTAL MATERIALS (2018)

Article Multidisciplinary Sciences

Catalytic oxidation of Li2S on the surface of metal sulfides for Li-S batteries

Guangmin Zhou et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)

Article Chemistry, Multidisciplinary

Lithium Bond Chemistry in Lithium-Sulfur Batteries

Ting-Zheng Hou et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

Article Chemistry, Multidisciplinary

LOBSTER: A Tool to Extract Chemical Bonding from Plane-Wave Based DFT

Stefan Maintz et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)

Review Chemistry, Multidisciplinary

Rechargeable Lithium-Sulfur Batteries

Arumugam Manthiram et al.

CHEMICAL REVIEWS (2014)

Article Chemistry, Physical

Improved initial guess for minimum energy path calculations

Soren Smidstrup et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

DFT analysis of Li intercalation mechanisms in the Fe-phthalocyanine cathode of Li-ion batteries

G. Ramos-Sanchez et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Review Chemistry, Multidisciplinary

Phthalocyanine Metal Complexes in Catalysis

Alexander B. Sorokin

CHEMICAL REVIEWS (2013)

Article Chemistry, Multidisciplinary

Analytic Projection From Plane-Wave and PAW Wavefunctions and Application to Chemical-Bonding Analysis in Solids

Stefan Maintz et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)

Article Chemistry, Physical

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

Volker L. Deringer et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)

Article Chemistry, Physical

The conductor-like screening model for polymers and surfaces

B Delley

MOLECULAR SIMULATION (2006)

Article Materials Science, Multidisciplinary

A generalized synchronous transit method for transition state location

N Govind et al.

COMPUTATIONAL MATERIALS SCIENCE (2003)

Article Chemistry, Physical

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

G Henkelman et al.

JOURNAL OF CHEMICAL PHYSICS (2000)