Talat S Rahman

Talat S Rahman

University of Central Florida

H-index: 58

North America-United States

About Talat S Rahman

Talat S Rahman, With an exceptional h-index of 58 and a recent h-index of 26 (since 2020), a distinguished researcher at University of Central Florida, specializes in the field of magnetism, catalysis, vibrational dynamics, optical properties, desnity functional theory.

His recent articles reflect a diverse array of research interests and contributions to the field:

Entangled State Generation and Coherence in STM-ESR Geometries Using Quantum Master Equations

of your abstract: Efficacy of non-metallic cations in electrochemical CO2 reduction on Bi (111) electrode: a first principles study.

Role of oxide support in stabilizing Ag single atom catalyst and subsequent NH3 adsorption

The restructuring of a Physics Department with a little help from APS Bridge and PhysTEC Programs

The quest for spin crossover molecules for low-power nonvolatile memory applications

Coupled ultrafast dynamics of intra- and inter-layer layer excitons and emission spectra of bilayer WSe2

Increased Selectivity in Photolytic Activation of Nanoassemblies Compared to Thermal Activation in On-Surface Ullmann Coupling

Anomalous isotope effect on the optical bandgap in a monolayer transition metal dichalcogenide semiconductor

Talat S Rahman Information

University

University of Central Florida

Position

___

Citations(all)

11664

Citations(since 2020)

3052

Cited By

9870

hIndex(all)

58

hIndex(since 2020)

26

i10Index(all)

222

i10Index(since 2020)

85

Email

University Profile Page

University of Central Florida

Talat S Rahman Skills & Research Interests

magnetism

catalysis

vibrational dynamics

optical properties

desnity functional theory

Top articles of Talat S Rahman

Entangled State Generation and Coherence in STM-ESR Geometries Using Quantum Master Equations

Authors

Eric Switzer,Jose Reina-Gálvez,Christoph Wolf,Geza Giedke,Nicolás Lorente,Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/4

A53. 00011: Entangled State Generation and Coherence in STM-ESR Geometries Using Quantum Master Equations*

of your abstract: Efficacy of non-metallic cations in electrochemical CO2 reduction on Bi (111) electrode: a first principles study.

Authors

Theodoros Panagiotakopoulos,Duy Le,Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/7

T10. 00005: Title of your abstract: Efficacy of non-metallic cations in electrochemical CO2 reduction on Bi (111) electrode: a first principles study.*

Role of oxide support in stabilizing Ag single atom catalyst and subsequent NH3 adsorption

Authors

Duy Le,Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/4

B60. 00012: Role of oxide support in stabilizing Ag single atom catalyst and subsequent NH 3 adsorption*

The restructuring of a Physics Department with a little help from APS Bridge and PhysTEC Programs

Authors

Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/5

F30. 00003: The restructuring of a Physics Department with a little help from APS Bridge and PhysTEC Programs*

The quest for spin crossover molecules for low-power nonvolatile memory applications

Authors

Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/4

B62. 00006: The quest for spin crossover molecules for low-power nonvolatile memory applications

Coupled ultrafast dynamics of intra- and inter-layer layer excitons and emission spectra of bilayer WSe2

Authors

Jia Shi,Jia Shi,Volodymyr Turkowski,Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/5

G59. 00004: Coupled ultrafast dynamics of intra-and inter-layer layer excitons and emission spectra of bilayer WSe 2*

Increased Selectivity in Photolytic Activation of Nanoassemblies Compared to Thermal Activation in On-Surface Ullmann Coupling

Authors

Christina Schunke,Paul Schweer,Elric Engelage,Dave Austin,Eric D Switzer,Talat S Rahman,Karina Morgenstern

Journal

ACS nano

Published Date

2024/4/25

On-surface synthesis is a powerful method that has emerged recently to fabricate a large variety of atomically precise nanomaterials on surfaces based on polymerization. It is very successful for thermally activated reactions within the framework of heterogeneous catalysis. As a result, it often lacks selectivity. We propose to use selective activation of specific bonds as a crucial ingredient to synthesize desired molecules with high selectivity. In this approach, thermally nonaccessible products are expected to arise in photolytically activated on-surface reactions with high selectivity. We demonstrate for assembled 2,2′-dibromo biphenyl clusters on Cu(111) that the thermal and photolytic activations yield distinctly different products, combining submolecular resolution of individual product molecules in real-space imaging by scanning tunneling microscopy with chemical identification in X-ray photoelectron spectroscopy …

Anomalous isotope effect on the optical bandgap in a monolayer transition metal dichalcogenide semiconductor

Authors

Yiling Yu,Volodymyr Turkowski,Jordan A Hachtel,Alexander A Puretzky,Anton V Ievlev,Naseem U Din,Sumner B Harris,Vasudevan Iyer,Christopher M Rouleau,Talat S Rahman,David B Geohegan,Kai Xiao

Journal

Science Advances

Published Date

2024/2/21

Isotope effects have received increasing attention in materials science and engineering because altering isotopes directly affects phonons, which can affect both thermal properties and optoelectronic properties of conventional semiconductors. However, how isotopic mass affects the optoelectronic properties in 2D semiconductors remains unclear because of measurement uncertainties resulting from sample heterogeneities. Here, we report an anomalous optical bandgap energy red shift of 13 (±7) milli–electron volts as mass of Mo isotopes is increased in laterally structured 100MoS2-92MoS2 monolayers grown by a two-step chemical vapor deposition that mitigates the effects of heterogeneities. This trend, which is opposite to that observed in conventional semiconductors, is explained by many-body perturbation and time-dependent density functional theories that reveal unusually large exciton binding energy …

Development of machine learning potential for hexagonal boron nitride with strictly local equivariant deep neural network

Authors

John Janisch,Duy Le,Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/5

G62. 00008: Development of machine learning potential for hexagonal boron nitride with strictly local equivariant deep neural network*

Breaking Continuously Packed Bimetallic Sites to Singly Dispersed on Nonmetallic Support for Efficient Hydrogen Production

Authors

Tao Jiang,Yuting Li,Yu Tang,Shiran Zhang,Duy Le,Talat S Rahman,Franklin Tao

Journal

ACS Applied Materials & Interfaces

Published Date

2024/4/17

We have synthesized Pt1Zn3/ZnO, also termed 0.01 wt %Pt/ZnO-O2–H2, as a catalyst containing singly dispersed single-atom bimetallic sites, also called a catalyst of singly dispersed bimetallic sites or a catalyst of isolated single-atom bimetallic sites. Its catalytic activity in partial oxidation of methanol to hydrogen at 290 °C is found to be 2–3 orders of magnitude higher than that of Pt–Zn bimetallic nanoparticles supported on ZnO, 5.0 wt %Pt/ZnO-N2–H2. Selectivity for H2 on Pt1Zn3/ZnO reaches 96%–100% at 290–330 °C, arising from the uniform coordination environment of single-atom Pt1 in singly dispersed single-atom bimetallic sites, Pt1Zn3 on 0.01 wt %Pt/ZnO-O2–H2, which is sharply different from various coordination environments of Pt atoms in coexisting PtxZny (x ≥ 0, y ≥ 0) sites on Pt–Zn bimetallic nanoparticles. Computational simulations attribute the extraordinary catalytic performance of Pt1Zn3/ZnO …

Nonhomogeneous ultrafast dynamics of anti-and ferromagnetic transient metallic states formation in pulse-excited monoclinic vanadium sesquioxide

Authors

Volodymyr Turkowski,Jia Shi,Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/5

K59. 00002: Nonhomogeneous ultrafast dynamics of anti-and ferromagnetic transient metallic states formation in pulse-excited monoclinic vanadium sesquioxide*

Spin Orbit Coupling Effects in the Electronic Band Gap of Hafnium Tri-Selenide

Authors

Bushra Ashraf,Duy Le,Peter Dowben,Talat Rahman

Journal

Bulletin of the American Physical Society

Published Date

2024/3/8

Z03. 00005: Spin Orbit Coupling Effects in the Electronic Band Gap of Hafnium Tri-Selenide*

Turnover frequencies and rates of CO oxidation on Pt single atomic sites on CeO2 surfaces: an ab initio based KMC study

Authors

Sampyo Hong,Dave Austin,Wei Tan,Shaohua Xie,Duy Le,Fudong Liu,Talat Rahman

Journal

APS March Meeting Abstracts

Published Date

2023

Our recent study on singly dispersed Pt single atoms on CeO 2 surfaces have shown that the Pt atoms bind at the Ce vacancy at the edge sites on CeO 2 support after calcination at 550 o C whereas they bind at the Ce vacancy sites on the terrace of CeO 2 after calcination at 800 o C. This difference in the local Pt geometry has substantial impact on CO oxidation such that the former exhibits higher CO turnover frequency (TOF) and reaches 100% CO conversion at lower temperature than the latter. To understand the rationale for this behavior, we have calculated the CO oxidation reaction pathways on both catalysts using density functional theory and then performing Kinetic Monte Carlo (KMC) simulations. Our KMC results show that the catalyst calcinated at 550 o C has a higher CO 2 TOF and conversion rate than the one calcinated at 800 o C, in good agreement with experiments. We track the difference in the …

Electronic structure of cobalt valence tautomeric molecules in different environments

Authors

Esha Mishra,Thilini K Ekanayaka,Theodoros Panagiotakopoulos,Duy Le,Talat S Rahman,Ping Wang,Kayleigh A McElveen,Jared P Phillips,M Zaid Zaz,Saeed Yazdani,Rebecca Y Lai,Robert Streubel,Ruihua Cheng,Michael Shatruk,Peter A Dowben

Journal

Nanoscale

Published Date

2023

Future molecular microelectronics require the electronic conductivity of the device to be tunable without impairing the voltage control of the molecular electronic properties. This work reports the influence of an interface between a semiconducting polyaniline polymer or a polar poly-D-lysine molecular film and one of two valence tautomeric complexes, i.e., [CoIII(SQ)(Cat)(4-CN-py)2] ↔ [CoII(SQ)2(4-CN-py)2] and [CoIII(SQ)(Cat)(3-tpp)2] ↔ [CoII(SQ)2(3-tpp)2]. The electronic transitions and orbitals are identified using X-ray photoemission, X-ray absorption, inverse photoemission, and optical absorption spectroscopy measurements that are guided by density functional theory. Except for slightly modified binding energies and shifted orbital levels, the choice of the underlying substrate layer has little effect on the electronic structure. A prominent unoccupied ligand-to-metal charge transfer state exists in [CoIII(SQ)(Cat)(3 …

A closer look at how symmetry constraints and the spin–orbit coupling shape the electronic structure of Bi (111)

Authors

Marisol Alcántara Ortigoza,Talat S Rahman

Journal

Journal of Physics: Condensed Matter

Published Date

2023/9/28

Fully relativistic density-functional-theory calculations of Bi (111) thin films are analyzed to revisit their two metallic surface-states branches. We first contrast these metallic branches with surface states arising at gaps in the valence band opened by the spin–orbit coupling (SOC). We find that the two metallic branches along

Interplay of the metal surface electronic state and non-covalent molecular bonds in synergistic molecular assembly formation on Au (111)

Authors

Dave Austin,Duy Le,Sara Lois,Ane Sarasola,Lucia Vitali,Talat Rahman

Journal

APS March Meeting Abstracts

Published Date

2023

Non-covalent bonds are fundamental for designing self-assembled organic structures with potentially high responsivity to mechanical, light, and thermal stimuli. We present here results of joint scanning tunneling microscopy measurements and density functional theory (DFT) calculations that reveal the interplay between synergistic interactions of multiple highly-directional bonds of a pure electrostatic nature and the metal surface states that give rise to the assembly of one molecular specie, namely 4, 7-dibromobenzo [c]-1, 2, 5-thiadiazole (2Br-BTD), in two different patterns on Au (111). Our DFT calculations find the 2Br-BTD layer to be buckled and the molecules to be weakly adsorbed on the Au (111) surface at a distance of 3.38 Å. Interestingly, the Au (111)'s surfaces state shift by 65 meV towards the Fermi level. More importantly, despite the weak interaction between the molecular film and the surface, there is …

Impact of grain boundaries on thermal conductivity in hexagonal boron nitride sheets: a study based on neural network potentials

Authors

John Janisch,Duy Le,Talat Rahman

Journal

APS March Meeting Abstracts

Published Date

2023

Hexagonal boron nitride (h-BN) has been predicted and confirmed to exhibit a high thermal conductivity which makes it a viable candidate for a building block in 2D materials-based electronic devices. As defects and grain-boundary often exist in h-BN, these imperfections could hinder such high thermal conductivity. In this work, we first develop a neural network interatomic potential for h-BN that provides reliable energetics of the grain boundaries and then perform non-equilibrium molecular dynamics simulations to study the effect of grain-boundary on the thermal conductivity. The neural network potential is trained using data from ab initio molecular dynamics simulation of small h-BN sheets with defects and grain-boundaries and validated through comparison of the results of the non-equilibrium MD simulations with prior experimental and theoretical observations. We show that the calculated thermal conductivity of …

Stabilization of CO2 adsorption on Bi(111) electrode in electrochemical environment using non-metallic cations: A first principles study

Authors

Theodoros Panagiotakopoulos,Duy Le,Talat Rahman

Journal

APS March Meeting Abstracts

Published Date

2023

Adsorption and stabilization of CO 2 on electrodes are the initial processes in electroreduction of CO 2. Metal cations are found to be critical for these processes. In the present work, we study the effect of non-metallic cations NH 4+ and NH 3 CH 3+ on the adsorption and stabilization of CO 2 on Bi (111) electrode using density functional theory calculations in which the number of electrons in the system is adjustable for maintaining constant electrode potential, ie, it's work function. We find that in the absence of the cations, CO 2 physisorbs on the electrode with work function of 2.63 eV or higher, while it chemisorbs at a lower work function forming metastable conformations. In the presence of NH 4+ or NH 3 CH 3+, chemisorption of CO 2 on Bi (111) is found to occur at a work function lower than 3.23 eV. However, it again forms a metastable configuration unless the work function is lower than 2.63 eV, at which point …

Thickness dependence of superconductivity in FeSe films

Authors

Jia Shi,Duy Le,Volodymyr Turkowski,Naseem Ud Din,Tao Jiang,Qiang Gu,Talat S Rahman

Journal

The European Physical Journal Plus

Published Date

2023/6

Thin films of FeSe on substrates have attracted attention because of their unusually high-temperature (T c) superconducting properties whose origins continue to be debated. To disentangle the competing effects of the substrate and interlayer and intralayer processes, we present here results of density functional theory-based analysis of the electronic structure of unsupported FeSe films consisting of 1–5 layers (1L–5L). Furthermore, by solving the Bardeen-Schrieffer-Cooper equation with spin-wave exchange attraction derived from the Hubbard model, we find the superconducting critical temperature T c for 1L-5L and bulk FeSe systems in reasonable agreement with experimental data. Our results point to the importance of correlation effects in superconducting properties of single-and multi-layer FeSe films, independently of the role of substrate.

Explosive Nucleation and Collective Diffusion during Low Temperature Growth of Pb/Ge (111) Islands

Authors

Shirley Chiang,Andrew Kim,Christina Valletta,Eli Baum,Michael Tringides,Vijay Stroup,Theodoros Panagiotakopoulos,Duy Le,Talat Rahman

Journal

APS March Meeting Abstracts

Published Date

2023

Lead deposited on Ge (111) at 220-283K first formed an amorphous wetting layer before undergoing explosive nucleation forming Pb (111) islands at critical coverage of 1.33+/-0.07 ML (wrt substrate). LEEM real time images revealed evidence of collective diffusion as the main driving force during nucleation and growth. The islands exhibited anisotropic growth with superlinear growth rate in island size vs time dependence during the early growth stage, involving transport of millions of atoms in the wetting layer over mesoscale distances within the LEEM acquisition speed, fueled by slight compression of the wetting layer at the critical coverage time. Analysis of island growth after the nucleation event showed the number of islands eventually saturating, reducing the growth rate to linear. A Kronig-Penney model was used to predict the locations of LEEM IV peaks to infer experimental island heights. Similar behavior …

See List of Professors in Talat S Rahman University(University of Central Florida)

Talat S Rahman FAQs

What is Talat S Rahman's h-index at University of Central Florida?

The h-index of Talat S Rahman has been 26 since 2020 and 58 in total.

What are Talat S Rahman's top articles?

The articles with the titles of

Entangled State Generation and Coherence in STM-ESR Geometries Using Quantum Master Equations

of your abstract: Efficacy of non-metallic cations in electrochemical CO2 reduction on Bi (111) electrode: a first principles study.

Role of oxide support in stabilizing Ag single atom catalyst and subsequent NH3 adsorption

The restructuring of a Physics Department with a little help from APS Bridge and PhysTEC Programs

The quest for spin crossover molecules for low-power nonvolatile memory applications

Coupled ultrafast dynamics of intra- and inter-layer layer excitons and emission spectra of bilayer WSe2

Increased Selectivity in Photolytic Activation of Nanoassemblies Compared to Thermal Activation in On-Surface Ullmann Coupling

Anomalous isotope effect on the optical bandgap in a monolayer transition metal dichalcogenide semiconductor

...

are the top articles of Talat S Rahman at University of Central Florida.

What are Talat S Rahman's research interests?

The research interests of Talat S Rahman are: magnetism, catalysis, vibrational dynamics, optical properties, desnity functional theory

What is Talat S Rahman's total number of citations?

Talat S Rahman has 11,664 citations in total.

What are the co-authors of Talat S Rahman?

The co-authors of Talat S Rahman are Tony F Heinz, Sudipta Seal, Peter Dowben or P.A. Dowben or P. Dowben, Tapio Ala-Nissila, Mario Rocca, Ludwig Bartels.

Co-Authors

H-index: 132
Tony F Heinz

Tony F Heinz

Stanford University

H-index: 109
Sudipta Seal

Sudipta Seal

University of Central Florida

H-index: 68
Peter Dowben or P.A. Dowben or P. Dowben

Peter Dowben or P.A. Dowben or P. Dowben

University of Nebraska-Lincoln

H-index: 61
Tapio Ala-Nissila

Tapio Ala-Nissila

Aalto-yliopisto

H-index: 43
Mario Rocca

Mario Rocca

Università degli Studi di Genova

H-index: 41
Ludwig Bartels

Ludwig Bartels

University of California, Riverside

academic-engine