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All papers authored by H. A. Tahini

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2021 Xin Tan

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, Hassan A. Tahini

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, Sean C. Smith

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Defect Engineering in Graphene-Confined Single-Atom Iron Catalysts for Room-Temperature Methane Conversion

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2019 Hassan A. Tahini

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, Xin Tan

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, Sean C. Smith

Facile CO Oxidation on Oxygen‐functionalized MXenes via the Mars‐van Krevelen Mechanism

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Hassan A. Tahini

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, Xin Tan

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, Sean C. Smith

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Unraveling the Factors Behind the Efficiency of Hydrogen Evolution in Endohedrally Doped C60 Structures via Ab Initio Calculations and Insights from Machine Learning Models

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Yinlong Zhu, Hassan A. Tahini

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, Zhiwei Hu, Jie Dai, Yubo Chen

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, Hainan Sun, Wei Zhou

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, Sean C. Smith, Huanting Wang, Zongping Shao

Unusual synergistic effect in layered Ruddlesden−Popper oxide enables ultrafast hydrogen evolution

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2018 H. A. Tahini

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, X. Tan

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Fermi Level Determination for Charged Systems via Recursive Density of States Integration

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2017 Xin Tan

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, Hassan A. Tahini

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, Sean C. Smith

Borophene as a Promising Material for Charge-Modulated Switchable CO2 Capture

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Hassan A. Tahini

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, Xin Tan

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, Sean C. Smith

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The origin of low workfunctions in OH terminated MXenes

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2016 Xin Tan

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, Hassan A. Tahini

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, Sean C. Smith

Conductive Boron-Doped Graphene as an Ideal Material for Electrocatalytically Switchable and High-Capacity Hydrogen Storage

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Xin Tan

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, Hassan A. Tahini

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, Sean C. Smith

Hexagonal boron nitride and graphene in-plane heterostructures: An experimentally feasible approach to charge-induced switchable CO 2 capture

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Xin Tan

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, Hassan A. Tahini

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, Sean C. Smith

p-Doped Graphene/Graphitic Carbon Nitride Hybrid Electrocatalysts: Unraveling Charge Transfer Mechanisms for Enhanced Hydrogen Evolution Reaction Performance

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Hassan A. Tahini

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, Xin Tan

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, Shi Nee Lou, Jason Scott, Rose Amal, Yun Hau Ng, Sean C. Smith

Mobile Polaronic States in α-MoO3: An ab Initio Investigation of the Role of Oxygen Vacancies and Alkali Ions

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Xin Tan

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, Hassan A. Tahini

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, Prasenjit Seal, Sean C. Smith

First-Principle Framework for Total Charging Energies in Electrocatalytic Materials and Charge-Responsive Molecular Binding at Gas–Surface Interfaces

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H. A. Tahini

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, F. Cossu, N. Singh, S. C. Smith, U. Schwingenschlögl

Electronic phase transitions under hydrostatic pressure inLaMnO3(111) bilayers sandwiched betweenLaAlO3

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2015 Xin Tan

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, Liangzhi Kou, Hassan A. Tahini

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, Sean C. Smith

Conductive Graphitic Carbon Nitride as an Ideal Material for Electrocatalytically Switchable CO2 Capture

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Liangzhi Kou, Xin Tan

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, Yandong Ma, Yandong, Hassan Tahini

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, Liujiang Zhou, Ziqi Sun, Du Aijun, Changfeng Chen, Sean C. Smith

Tetragonal Bismuth Bilayer: A Stable and Robust Quantum Spin Hall Insulator

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Xin Tan

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, Liangzhi Kou, Hassan A. Tahini

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, Sean C. Smith

Charge-modulated permeability and selectivity in graphdiyne for hydrogen purification

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Xin Tan

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, Liangzhi Kou, Hassan A. Tahini

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, Sean C. Smith

Charge Modulation in Graphitic Carbon Nitride as a Switchable Approach to High-Capacity Hydrogen Storage

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Daniel J. M. King, Simon C. Middleburgh, A. C. Y. Liu, Hassan Ali Tahini

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, Gregory R. Lumpkin, Michael B. Cortie

Formation and structure of V-Zr amorphous alloy thin films

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Hassan Ali Tahini

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, Alexander I. Chroneos, Simon C. Middleburgh, Udo Schwingenschlögl, Robin W. Grimes

Ultrafast palladium diffusion in germanium

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2014 A. Chroneos, H. A. Tahini

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, Udo Schwingenschlögl, R. W. Grimes

Antisites in III-V semiconductors: Density functional theory calculations

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