Thông tin nhà nghiên cứu KH&CN

Nitrogen-doped Graphdiyne as an Efficient Anode Material for Lithium -Ion Batteries: A DFT approach

Insights into the activity of Single-atom Fe/N-embedded Bilayer Graphene for Oxygen Reduction Catalysts

Investigation of the configuration and electronic properties of nitrogen doped Graphdiyne bilayer: a density functional theory approach.

Lithium storage on Graphdiyne bilayer doped nitrogen predicted by DFT calculation.

Investigation of the configuration and electronic properties of nitrogen doped Graphdiyne bilayer by density functional theory.

Investigation of the configuration and electronic properties of nitrogen doped Graphdiyne bilayer by density functional theory.

Iron-Nitrogen Codoped Effect On The Electronic Properties Of Graphdiyne: A Density Functional Theory Approach

Fine-tuning the high aspect ratio branches and small cores of gold nanostar with nonionic-surfactant for studying their SERS improvement activity

Exploring the bilayer V2O5 structure as a promising cathode active material for rechargeable aqueous zinc‐ion batteries using density functional theory

Exploring the bilayer V2O5 structure as a promising cathode active material for rechargeable aqueous zinc‐ion batteries using density functional theory

Near-infrared absorbing composition

A phthalocyanine-based compound having near-infrared absorption properties and a near-infrared absorption coating composition containing the same

Manganesephthalocyanine catalytic performance and supporting of graphene quantum dot as a C-supported layer to enhance ORR activity in nonprecious PEMFC catalyst (P1808-0510)

Enhanced CO-tolerance and electronic of Graphene quantum dot supported on metallophthalocyanine for PEMFC catalyst layer: A DFT+U approach (P-149)

Metallophthalocyanine functionalized graphene quantum dot as a highefficiency non-precious electrocatalyst for PEMFC: A DFT+U approach (COMP-384)

Investigation of Oxygen Reduction Reaction on Non-Platinum Catalysts Utilizing Graphene Quantum Dots and Phthalocyanine via Density Functional Theory (PSI-3-5)

Functionalization of graphene quantum dot on metallophthalocyanine for improving oxygen reduction reaction: Density functional theory approach (2LN-5)

Coupling of graphene quantum dot with metallophthalocyanine to create the nonPGM catalyst for oxygen reduction reaction process: Density functional theory approach (P-050)

The effect of graphene quantum dot on metallophthalocyanine for improving oxygen reduction process by mean of density functional approach (PS-010)

Effect of graphene quantum dot on manganese phthalocyanine for efficientoxygen reduction: density functional theory approach (Po-T01-052)

Catalytic activity and carbon monoxide tolerance of iron phthalocyanine under the effect of graphene quantum dots: method of density functional theory (Po-T01-053)

GW-BSE and TDDFT approaches to the optical properties of organic NIR-II fluorophores (EQ05.04.10)

Functionalization of graphene quantum dot on metallophthalocyanine for improving oxygen reduction reaction: Density functional theory approach

Metallophthalocyanine functionalized graphene quantum dot as a high-efficiency non-precious electrocatalyst for PEMFC: A DFT+U approach

Electrochemical catalytic activity metallophthalocyanine functionalized with graphene quantum dots: A density functional theory approach (PC-15)

Surface composition effects in electrocatalysis of Ni3Mo for hydrogen evolution reaction: A density functional theory approach (PS1-2-43)

Surface effects in Ni3Mo for hydrogen evolution catalytic activity: A density functional theory approach (BOP-13)

Investigation on optical and electronic properties of organic NIR-II fluorophores: GWBSE and TDDFT approaches (PHYS-3549255)

Electrocatalytic hydrogen evolution activity of Ni3Mo surfaces: A density functional theory approach (P21TS12_0102)

Excited states properties of organic NIR-II fluorophores: the GW-BSE and TDDFT approaches (P21TS12_0313)

Investigation on optical absorption of neutral bis(1,3-diisopropyl imidazoline-2,4,5-trithione) platinum(II) complexes: A density functional theory approach. (1LO-11)

3905263-PHYS

IA 3-2

A density functional theory investigation of Nin, Pdn, and Ptn clusters (n= 1–4) adsorbed on buckminsterfullerene

Catalytic performance of graphene quantum dot supported manganese phthalocyanine for efficient oxygen reduction: density functional theory approach

Electrochemical oxygenreduction activity and carbon monoxide tolerance of iron phthalocyanine functionalized with graphene quantum dots: A density functional theory approach

Relationship between hydrogen binding energy and activity for hydrogen evolution reaction by palladium supported on sulfur-doped ordered mesoporous carbon

Insights on boosting oxygen evolution reaction performance via boron incorporation into nitrogen-doped carbon electrocatalysts

Catalytic activity of Ni3Mo surfaces for hydrogen evolution reaction: A density functional theory approach

Persulfate activation by ZIF-67-derived cobalt/nitrogen-doped carbon composites: Kinetics and mechanisms dependent on persulfate precursor

Synthesis and NIR Absorption Properties of Triethylene Glycol Substituted Metallo Naphthalocyanines

Optical and electronic properties of organic NIR-II fluorophores: the GW-BSE and TDDFT approaches

Simple luminescent phenanthroimidazole emitters for solutionprocessed non-doped organic light-emitting electrochemical cells

Theoretical investigation of the active sites in N-doped graphene bilayer for oxygen reduction reaction in alkaline media in PEMFCs

Near infrared absorption properties of neutral bis(1,2-dithiolene) platinum complexes using density functional theory

Persulfate activation on Mn and N codoped carbon composites: Efficiencies and nonradical mechanisms dependent upon different fabrication routes

Dual Cu on g-C3N4 for efficient photocatalytic CO2 reduction selectivity

Near infrared absorption and photothermal properties of heptamethine pyrylium dyes with bistriflimide anion

Density functional theory study of Li storage and pathways at graphene edges

Nitrogen doping effects on the physical and chemical properties of bilayer graphdiyne: A density functional theory approach

Piezoelectricity of Strain-Induced Overall Water Splitting of Ni (OH) 2/MoS2 Heterostructure

Fluoroalkyl phosphonic acid radical scavengers for proton exchange membrane fuel cells

Influence of phosphorus-doped bilayer graphene configuration on the oxygen reduction reaction in acidic solution

Investigation of near-infrared absorption properties by the GW-BSE method in heptamethine pyrylium dyes

Enhancing photocatalytic visible-light-driven oxidation of NOx over Mott-Schottky Ag/SnO2 nanorod heterojunctions

Differences between surfactant-free Au@Ag and CTABstabilized Au@Ag star-like nanoparticles in the preparation of nanoarrays to improve their surface-enhanced Raman scattering (SERS) performance

Integrating the amino-functionalized MOF-5 film with the silver nanoparticle substrate for a high SERS enhancement effect and long-term stability

Nghiên cứu hiệu năng xúc tác điện phân tách nước và giảm oxy của cấu trúc Fe-N đồng pha tạp trên bề mặt graphdiyne bằng phương pháp phiếm hàm mật độ.

Nghiên cứu khả năng điện phân tách nước của cấu trúc đồng pha tạp giữa nguyên tử đơn kim loại chuyển tiếp và các dị nguyên tử trên lớp kép graphene bằng phương pháp phiếm hàm mật độ.

Khảo sát ảnh hưởng của pha tạp N đến khả năng lưu trữ Li của graphidyne 2 lớp bằng phương pháp phiếm hàm mật độ.

Khảo sát ảnh hưởng của pha tạp N đến khả năng lưu trữ Li của graphidyne 2 lớp bằng phương pháp phiếm hàm mật độ.

Nghiên cứu hiệu năng xúc tác điện phân tách nước và giảm oxy của cấu trúc Fe-N đồng pha tạp trên bề mặt graphdiyne bằng phương pháp phiếm hàm mật độ.

Nghiên cứu khả năng điện phân tách nước của cấu trúc đồng pha tạp giữa nguyên tử đơn kim loại chuyển tiếp và các dị nguyên tử trên lớp kép graphene bằng phương pháp phiếm hàm mật độ.