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Chemistry

Working Paper

Structure-dependent Photoluminescence from MA1-xFAxPbI3 with Evidence of Defect-suppression on FA-substitution

Ashutosh Mohanty, D. D. Sarma

Version 1 posted 27 July 2022

249

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Chemistry

Working Paper

DeepDeg: Forecasting and explaining degradation in novel photovoltaics

Felipe Oviedo, David S. Hayden, Thomas Heumeuller, Jonas Wortmann, Jose Dario Perea, Richa Naik, Hansong Xue, Juan Lavista, John Fisher III, Christoph J Brabec, Tonio Buonassisi

Version 1 posted 27 March 2023

1,256

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Chemistry

Working Paper

A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions

Zhaoxi Sun, Qiaole He, Zhihao Gong, Payam Kalhor, Zhe Huai, Zhirong Liu

Version 1 posted 07 October 2021

553

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Chemistry

Working Paper

Mechanistic Roles of Metal- and Ligand-Protonated Species in Hydrogen Evolution with [Cp*Rh] Complexes

Wade Henke, Yun Peng, Alex Meier, Etsuko Fujita, David Grills, Dmitry Polyansky, James Blakemore

Version 1 posted 07 June 2022

362

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1

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Chemistry

Working Paper

Catalytic Resonance Theory: Negative Dynamic Surfaces for Programmable Catalysts

Sallye Gathmann, M. Alexander Ardagh, Paul Dauenhauer

Version 1 posted 17 August 2021

622

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Chemistry

Working Paper

Passive control of temperature fluctuations through a sunlight-induced spin transition in a molecule-based material

Esther Resines-Urien, Miguel Angel Garcia Garcia-Tuñon, Mar Garcia-Hernandez, Jose Alberto Rodriguez-Velamazan, Ana Espinosa De los Monteros, Jose Sanchez Costa

Version 1 posted 17 February 2022

284

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Chemistry

Working Paper

Quantifying energetic information in density functional theory

Shubin Liu

Version 1 posted 23 June 2022

125

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Chemistry

Working Paper

A Computational Study on the Ca2+ Solvation, Coordination Environment, and Mobility in Electrolytes for Calcium Ion Batteries

Saeid Biria, Shreyas Pathreeker, Ian D. Hosein

Version 2 posted 21 September 2021

861

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1

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Chemistry

Review

Ammonia - A Step Away from Traditional Fuels

Dhairya Mittal, Aaftaab Sethi

Version 1 posted 31 October 2022

206

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Chemistry

Working Paper

The Case for Bio-jet Fuel from Bioethanol in Brazil: An Optimization-based Analysis Using Historical Market Data

Madelynn Watson, Aline Veronese da Silva, Pedro Gerber Machado, Celma de Oliveira Ribeiro, Claudio Augusto Oller do Nascimento, Alexander Dowling

Version 1 posted 09 August 2024

150

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1

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35 results in Energy in Keywords: Energy

Structure-dependent Photoluminescence from MA1-xFAxPbI3 with Evidence of Defect-suppression on FA-substitution

DeepDeg: Forecasting and explaining degradation in novel photovoltaics

A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions

Mechanistic Roles of Metal- and Ligand-Protonated Species in Hydrogen Evolution with [Cp*Rh] Complexes

Catalytic Resonance Theory: Negative Dynamic Surfaces for Programmable Catalysts

Passive control of temperature fluctuations through a sunlight-induced spin transition in a molecule-based material

Quantifying energetic information in density functional theory

A Computational Study on the Ca2+ Solvation, Coordination Environment, and Mobility in Electrolytes for Calcium Ion Batteries

Ammonia - A Step Away from Traditional Fuels

The Case for Bio-jet Fuel from Bioethanol in Brazil: An Optimization-based Analysis Using Historical Market Data

35 results in Keywords: Energy