T. Biswas

activity

20182022

collaborators

Showing cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2022

$p y$ GWBSE: A high throughput workflow package for GW-BSE calculations

Tathagata Biswas, Arunima K. Singh

We develop an open-source python workflow package, $p y$ GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body…

cond-mat.mtrl-sci2022

Physical and Thermoelectric Properties of 2D B $_{4}$ C Nanosheets

Adway Gupta, Tathagata Biswas, Arunima K. Singh

Boron carbide (B $_{4}$ C) has been well studied both theoretically and experimentally in its bulk form due to its exceptional hardness and use as a high temperature thermoelectric. Ho…

cond-mat.mtrl-sci2021

Excitonic Effects in Absorption Spectra of Carbon Dioxide Reduction Photocatalysts

Tathagata Biswas, Arunima K. Singh

The formation and disassociation of excitons plays a crucial role in any photovoltaic or photocatalytic application. However, excitonic effects are seldom considered in materials d…

cond-mat.mtrl-sci2019

Two-Dimensional Forms of Robust CO $_{2}$ Reduction Photocatalysts

Steven B. Torrisi, Arunima K. Singh, Joseph H. Montoya +2

Novel photoelectrocatalysts that use sunlight to power the CO $_{2}$ reduction reaction will be crucial for carbon-neutral power and energy-efficient industrial processes. Scalable ph…

cond-mat.mtrl-sci2018

Excitonic properties of F-centers in $α$ -alumina from First Principles Calculation

Tathagata Biswas, Manish Jain

We use state-of-the art GW-BSE formalism to study electronic structure and optical properties of oxygen vacancies in $α$ -alumina. Many body perturbation theory within GW approximat…

cond-mat.mtrl-sci2018

Polarization discontinuity driven two dimensional electron gas at A $_{2}$ Mo $_{3}$ O $_{8}$ /B $_{2}$ Mo $_{3}$ O $_{8}$ (A, B : Zn,Mg,Cd) interfaces

Tathagata Biswas, Manish Jain

We prospose a novel heterostructure system consisting of compounds with chemical formula A $_{2}$ Mo $_{3}$ O $_{8}$ (A, B : Zn,Mg,Cd) that can host a two dimensional electron/hole gas (2DEG/…

pyGWBSE: A high throughput workflow package for GW-BSE calculations

Physical and Thermoelectric Properties of 2D B4​C Nanosheets

Excitonic Effects in Absorption Spectra of Carbon Dioxide Reduction Photocatalysts

Two-Dimensional Forms of Robust CO2​ Reduction Photocatalysts

Excitonic properties of F-centers in α-alumina from First Principles Calculation

Polarization discontinuity driven two dimensional electron gas at A2​Mo3​O8​/B2​Mo3​O8​ (A, B : Zn,Mg,Cd) interfaces

$p y$ GWBSE: A high throughput workflow package for GW-BSE calculations

Physical and Thermoelectric Properties of 2D B $_{4}$ C Nanosheets

Two-Dimensional Forms of Robust CO $_{2}$ Reduction Photocatalysts

Excitonic properties of F-centers in $α$ -alumina from First Principles Calculation

Polarization discontinuity driven two dimensional electron gas at A $_{2}$ Mo $_{3}$ O $_{8}$ /B $_{2}$ Mo $_{3}$ O $_{8}$ (A, B : Zn,Mg,Cd) interfaces